2-{[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
2-{[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid
2-{[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-7930 |
| Compound Name: | 2-{[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C24 H28 N2 O4 S |
| Smiles: | C1CCC(C(C1)C(O)=O)C(Nc1c(C(NCc2ccccc2)=O)c2CCCCc2s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8643 |
| logD: | 1.2136 |
| logSw: | -4.2536 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.058 |
| InChI Key: | WRSHTJITLLTYBC-UHFFFAOYSA-N |