AC1MGBL2

3-[(3-propoxycarbonyl-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_099824|AK-968/12689653|SR-01000257802-1|3-{[3-(propoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid|2-[(3-propoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid|3-((3-(propoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid|3-({[3-(propoxycarbonyl)-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-propoxycarbonyl-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-(propoxycarbonyl)-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	C22H27NO5S
Molecular Weight	417.16098 g/mol
LogP	4.0452
Topological Polar Surface Area	92.7 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	417.16098
Monoisotopic Mass	417.16098
Heavy Atoms	29
Complexity	857.6292

Chemical Identifiers

CAS Number	874374-76-2
SMILES	CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3C4CC(C3C(=O)O)C=C4