2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid
Chemical Structure Depiction of
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid
Compound characteristics
| Compound ID: | 0848-0055 |
| Compound Name: | 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C17 H14 N2 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1ccccc1C(O)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.9313 |
| logD: | -1.5115 |
| logSw: | -3.62 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.509 |
| InChI Key: | RCZITQUBOCVMBA-UHFFFAOYSA-N |