6-{[2-(methoxycarbonyl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[2-(methoxycarbonyl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[2-(methoxycarbonyl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y204-0789 |
| Compound Name: | 6-{[2-(methoxycarbonyl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 303.31 |
| Molecular Formula: | C16 H17 N O5 |
| Smiles: | COC(c1ccccc1NC(C1CC=CCC1C(O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1457 |
| logD: | -0.2101 |
| logSw: | -3.0452 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.406 |
| InChI Key: | RBYLPSAYGSXZIO-UHFFFAOYSA-N |