CBMicro_038523

4-[[2-bromo-4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoic acid

Also Known As: CBMicro_038523|HMS595D10|BIM-0038440.P001|4-({2-bromo-4-[(E)-(1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzoic acid|(E)-4-((2-bromo-4-((1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid|4-({2-bromo-4-[(1-methyl-2,4,6-trioxo(1,3-dihydropyrimidin-5-ylidene))methyl]p henoxy}methyl)benzoic acid|4-[(2-BROMO-4-{[(5E)-1-METHYL-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE]METHYL}PHENOXY)METHYL]BENZOIC ACID|4-[[2-bromo-4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoic acid

Molecular Formula	C20H15BrN2O6
Molecular Weight	458.01135 g/mol
LogP	2.8179
Topological Polar Surface Area	113.01 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	458.01135
Monoisotopic Mass	458.01135
Heavy Atoms	29
Complexity	1045.437

Chemical Identifiers

CAS Number	313701-72-3
SMILES	CN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)Br)/C(=O)NC1=O