AC1MGK3D

4-O-ethyl 2-O-methyl 5-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate

Also Known As: CBKinase1_008484|CBKinase1_020884|AN-329/43211404|BRD-A62855037-001-01-4|4-ethyl 2-methyl 5-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate|4-O-ethyl 2-O-methyl 5-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate|4-ethyl 2-methyl 5-(3-(3-bromophenyl)-4,5-dihydroisoxazole-5-carboxamido)-3-methylthiophene-2,4-dicarboxylate|ethyl 2-{[3-(3-bromophenyl)(4,5-dihydroisoxazol-5-yl)]carbonylamino}-5-(methox ycarbonyl)-4-methylthiophene-3-carboxylate

Molecular Formula	C20H19BrN2O6S
Molecular Weight	494.0147 g/mol
LogP	3.91402
Topological Polar Surface Area	103.29 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	494.0147
Monoisotopic Mass	494.0147
Heavy Atoms	30
Complexity	1032.2992

Chemical Identifiers

CAS Number	712347-60-9
SMILES	CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br