AC1M1P4C

ethyl 6-(3-bromobenzoyl)imino-7-cyclohexyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate

Also Known As: Oprea1_546627|(Z)-ethyl 2-((3-bromobenzoyl)imino)-1-cyclohexyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate|F0565-0569|ethyl (6Z)-6-[(3-bromobenzoyl)imino]-7-cyclohexyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate|ethyl 6-(3-bromobenzoyl)imino-7-cyclohexyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate|ethyl (2Z)-2-{[(3-bromophenyl)carbonyl]imino}-1-cyclohexyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate|ETHYL 2-[(3-BROMOBENZOYL)IMINO]-1-CYCLOHEXYL-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXYLATE

Molecular Formula	C27H25BrN4O4
Molecular Weight	548.1059 g/mol
LogP	4.8347
Topological Polar Surface Area	95.03 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	548.1059
Monoisotopic Mass	548.1059
Heavy Atoms	36
Complexity	1616.2114

Chemical Identifiers

CAS Number	534579-23-2
SMILES	CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=CC(=CC=C4)Br)C5CCCCC5