AC1NI28R

6-[[3-ethoxycarbonyl-4-(3-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Also Known As: AK-968/40708601|SR-01000113694-1|6-[[3-ethoxycarbonyl-4-(3-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid|6-({[3-(ethoxycarbonyl)-4-(3-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid|3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(3-methylphenyl)-, 3-ethyl ester|6-[[3-carbethoxy-4-(m-tolyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid|6-([[3-(ETHOXYCARBONYL)-4-(3-METHYLPHENYL)-2-THIENYL]AMINO]CARBONYL)CYCLOHEX-3-ENE-1-CARBOXYLIC ACID|6-[[[3-ethoxycarbonyl-4-(3-methylphenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid|6-{[3-(ethoxycarbonyl)-4-(3-methylphenyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid|6-{N-[3-(ethoxycarbonyl)-4-(3-methylphenyl)-2-thienyl]carbamoyl}cyclohex-3-ene carboxylic acid

Molecular Formula	C22H23NO5S
Molecular Weight	413.1297 g/mol
LogP	4.50572
Topological Polar Surface Area	92.7 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	413.1297
Monoisotopic Mass	413.1297
Heavy Atoms	29
Complexity	961.86224

Chemical Identifiers

CAS Number	495386-94-2
SMILES	CCOC(=O)C1=C(SC=C1C2=CC=CC(=C2)C)NC(=O)C3CC=CCC3C(=O)O