AC1LDDTR

N-(7-butyl-5-cyano-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-1,3-benzodioxole-5-carboxamide

Also Known As: regid864200|(E)-N-(1-butyl-3-cyano-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide|N-(1-butyl-3-cyano-10-methyl-5-oxidanylidene-dipyrido[3,4-c:1'',2''-f]pyrimidin-2-ylidene)-1,3-benzodioxole-5-carboxamide|N-(1-butyl-3-cyano-10-methyl-5-oxo-2-dipyrido[3,4-c:1'',2''-f]pyrimidinylidene)-1,3-benzodioxole-5-carboxamide|N-(1-butyl-3-cyano-10-methyl-5-oxodipyrido[3,4-c:1'',2''-f]pyrimidin-2-ylidene)-1,3-benzodioxole-5-carboxamide|N-(1-butyl-3-cyano-5-keto-10-methyl-dipyrido[3,4-c:1'',2''-f]pyrimidin-2-ylidene)-piperonylamide|N-[(2E)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-1,3-benzodioxole-5-carboxamide

Molecular Formula	C25H21N5O4
Molecular Weight	455.15936 g/mol
LogP	3.0
Topological Polar Surface Area	108.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	455.15936
Monoisotopic Mass	455.15936
Heavy Atoms	34
Complexity	1160.0

Chemical Identifiers

CAS Number	1164458-29-0
SMILES	CCCCN1C2=C(C=C(C1=NC(=O)C3=CC4=C(C=C3)OCO4)C#N)C(=O)N5C=CC=C(C5=N2)C
InChIKey	UTNRNTSOUAOTMB-UHFFFAOYSA-N