6-[(5-chloropyridin-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-[(5-chloropyridin-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
6-[(5-chloropyridin-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y206-3281 |
| Compound Name: | 6-[(5-chloropyridin-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 308.76 |
| Molecular Formula: | C15 H17 Cl N2 O3 |
| Smiles: | CC1CC(C(CC=1C)C(Nc1ccc(cn1)[Cl])=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9271 |
| logD: | 0.5713 |
| logSw: | -3.2313 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.634 |
| InChI Key: | QISUJZHVTYTBON-UHFFFAOYSA-N |