3,4-dimethyl-6-{[(pyridin-4-yl)methyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
3,4-dimethyl-6-{[(pyridin-4-yl)methyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
3,4-dimethyl-6-{[(pyridin-4-yl)methyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y206-3535 |
| Compound Name: | 3,4-dimethyl-6-{[(pyridin-4-yl)methyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 288.34 |
| Molecular Formula: | C16 H20 N2 O3 |
| Smiles: | CC1CC(C(CC=1C)C(NCc1ccncc1)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6125 |
| logD: | -1.7433 |
| logSw: | -1.5953 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.68 |
| InChI Key: | ROHOOFAPRLWWHG-UHFFFAOYSA-N |