6-{[3-(cyclopentylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[3-(cyclopentylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[3-(cyclopentylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-7763 |
| Compound Name: | 6-{[3-(cyclopentylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C22 H28 N2 O4 S |
| Smiles: | C1CCC(C1)NC(c1c2CCCCc2sc1NC(C1CC=CCC1C(O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6095 |
| logD: | 1.2536 |
| logSw: | -4.1231 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.149 |
| InChI Key: | ATMJZYCOALUMSX-UHFFFAOYSA-N |