AC1LWCKM

4-(4-bromophenyl)-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid

Also Known As: AE-848/11420619|4-(4-bromophenyl)-2-{[3-(3,4-dimethoxyphenyl)acryloyl]amino}-3-thiophenecarboxylic acid|(E)-4-(4-bromophenyl)-2-(3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylic acid|4-(4-bromophenyl)-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid|4-(4-bromophenyl)-2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}thiophene-3-carboxylic acid

Molecular Formula	C22H18BrNO5S
Molecular Weight	487.0089 g/mol
LogP	5.5449
Topological Polar Surface Area	84.86 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	487.0089
Monoisotopic Mass	487.0089
Heavy Atoms	30
Complexity	1105.2157

Chemical Identifiers

CAS Number	312940-87-7
SMILES	COC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O)OC