AC1NAG57

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

Also Known As: Oprea1_869015|F0565-0724|(Z)-ethyl 2-((4-bromobenzoyl)imino)-5-oxo-1-((tetrahydrofuran-2-yl)methyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate|ethyl (6Z)-6-[(4-bromobenzoyl)imino]-2-oxo-7-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate|ethyl (2Z)-2-{[(4-bromophenyl)carbonyl]imino}-5-oxo-1-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate|ethyl (Z)-2-(p-bromobenzoylimino)-10-oxo-1-[(perhydro-2-furyl)methyl]-1,9,10a-triaza-1,10-dihydro-2H-anthracene-3-carboxylate|ethyl 6-(4-bromobenzoyl)imino-2-oxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate

Molecular Formula	C26H23BrN4O5
Molecular Weight	550.0852 g/mol
LogP	3.5085
Topological Polar Surface Area	104.26 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	550.0852
Monoisotopic Mass	550.0852
Heavy Atoms	36
Complexity	1601.5223

Chemical Identifiers

CAS Number	534580-58-0
SMILES	CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=CC=C(C=C4)Br)CC5CCCO5