rel-(1R,6S)-6-[(4-cyanophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
rel-(1R,6S)-6-[(4-cyanophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
rel-(1R,6S)-6-[(4-cyanophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | 8009-1194 |
| Compound Name: | rel-(1R,6S)-6-[(4-cyanophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 270.29 |
| Molecular Formula: | C15 H14 N2 O3 |
| Smiles: | C1C=CC[C@@H](C(O)=O)[C@H]1C(Nc1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.777 |
| logD: | -0.5788 |
| logSw: | -2.4063 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.986 |
| InChI Key: | QRZMXKUSPMBZKY-OLZOCXBDSA-N |