3-{[3-(phenylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{[3-(phenylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-{[3-(phenylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
Compound ID: | Y205-8046 |
Compound Name: | 3-{[3-(phenylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
Molecular Weight: | 422.5 |
Molecular Formula: | C23 H22 N2 O4 S |
Smiles: | C1Cc2c(C(Nc3ccccc3)=O)c(NC(C3C4CC(C=C4)C3C(O)=O)=O)sc2C1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.6686 |
logD: | 1.3434 |
logSw: | -4.314 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 75.755 |
InChI Key: | MHAUZFPQJSLITI-UHFFFAOYSA-N |