2-(7-chloro-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-chloro-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-chloro-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	514.9
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₆H₁₉ClN₆O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	2-(7-chloro-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	C26H19ClN6O4
Molecular Weight	514.9
Exact Mass	514.1156308
LogP	1.40
Standard SMILES	O=C(Cn1c(=O)n2c3c(c(Cl)ccc31)NC(=O)C2)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
Canonical SMILES	C1C2=C(CC13C4=C(NC3=O)N=CC=C4)C=C(C=C2)NC(=O)CN5C6=C7C(=C(C=C6)Cl)NC(=O)CN7C5=O
Isomeric SMILES	C1C2=C(CC13C4=C(NC3=O)N=CC=C4)C=C(C=C2)NC(=O)CN5C6=C7C(=C(C=C6)Cl)NC(=O)CN7C5=O
Standard InChI Identifier	InChI=1S/C26H19ClN6O4/c27-17-5-6-18-22-21(17)30-20(35)12-33(22)25(37)32(18)11-19(34)29-15-4-3-13-9-26(10-14(13)8-15)16-2-1-7-28-23(16)31-24(26)36/h1-8H,9-12H2,(H,29,34)(H,30,35)(H,28,31,36)
Standard InChI Key	FDVJAVBWZOJVEP-UHFFFAOYSA-N
Compound Complexity	1030.00
computational chemistry	Hydrogen Bond Acceptor Count：5 Hydrogen Bond Donor Count：3 Rotatable Bond Count：3 Heavy Atom Count：37 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：514.1156308