2-[8-(4-bromobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-butan-2-ylacetamide

Update Time: 2025-04-25 16:51:01

	Common Name	2-[8-(4-bromobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-butan-2-ylacetamide	English Name	2-[8-(4-bromobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-butan-2-ylacetamide
	CAS NO.	N/A	Molecular Weight	527.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₆H₃₁BrN₄O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	2-[8-(4-bromobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-butan-2-ylacetamide

Molecular Formula	C26H31BrN4O3
Molecular Weight	527.5
Exact Mass	526.15795
LogP	4.30
Standard SMILES	CCC(C)NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(Br)cc3)CC2)C1=O
Canonical SMILES	CCC(C)NC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4
Isomeric SMILES	CCC(C)NC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4
Standard InChI Identifier	InChI=1S/C26H31BrN4O3/c1-3-19(2)28-23(32)17-30-18-31(22-7-5-4-6-8-22)26(25(30)34)13-15-29(16-14-26)24(33)20-9-11-21(27)12-10-20/h4-12,19H,3,13-18H2,1-2H3,(H,28,32)
Standard InChI Key	AAJOIDDPDUJZFL-UHFFFAOYSA-N
Compound Complexity	740.00
computational chemistry	Hydrogen Bond Acceptor Count：4 Hydrogen Bond Donor Count：1 Rotatable Bond Count：6 Heavy Atom Count：34 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：526.15795