AC1MEXPD

3-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Also Known As: Oprea1_844111|AK-968/11987366|3-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid|2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid|3-((3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid|3-({[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid|3-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid|3-{N-[3-(methoxycarbonyl)-4,5,6,7,8-pentahydrocyclohepta[1,2-d]thiophen-2-yl]c arbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Molecular Formula	C20H23NO5S
Molecular Weight	389.1297 g/mol
LogP	3.265
Topological Polar Surface Area	92.7 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	389.1297
Monoisotopic Mass	389.1297
Heavy Atoms	27
Complexity	826.58356

Chemical Identifiers

CAS Number	470472-65-2
SMILES	COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3C4CC(C3C(=O)O)C=C4