2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

Update Time: 2025-04-25 16:33:36

	Common Name	2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide	English Name	2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
	CAS NO.	N/A	Molecular Weight	510.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₇H₂₂N₆O₅	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

Molecular Formula	C27H22N6O5
Molecular Weight	510.5
Exact Mass	510.16516782
LogP	0.70
Standard SMILES	COc1ccc2c3c1NC(=O)Cn3c(=O)n2CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
Canonical SMILES	COC1=C2C3=C(C=C1)N(C(=O)N3CC(=O)N2)CC(=O)NC4=CC5=C(CC6(C5)C7=C(NC6=O)N=CC=C7)C=C4
Isomeric SMILES	COC1=C2C3=C(C=C1)N(C(=O)N3CC(=O)N2)CC(=O)NC4=CC5=C(CC6(C5)C7=C(NC6=O)N=CC=C7)C=C4
Standard InChI Identifier	InChI=1S/C27H22N6O5/c1-38-19-7-6-18-23-22(19)30-21(35)13-33(23)26(37)32(18)12-20(34)29-16-5-4-14-10-27(11-15(14)9-16)17-3-2-8-28-24(17)31-25(27)36/h2-9H,10-13H2,1H3,(H,29,34)(H,30,35)(H,28,31,36)
Standard InChI Key	SDFRWPANBFFFTM-UHFFFAOYSA-N
Compound Complexity	1040.00
computational chemistry	Hydrogen Bond Acceptor Count：6 Hydrogen Bond Donor Count：3 Rotatable Bond Count：4 Heavy Atom Count：38 Total Chiral Atom Count：1 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：1 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：510.16516782