2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F235-1437 |
| Compound Name: | 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | COc1ccc(cc1OC)NC(CSc1c(C#N)cc2CCCCCc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9399 |
| logD: | 3.9399 |
| logSw: | -3.9072 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.933 |
| InChI Key: | KPCADSOAJCJWRB-UHFFFAOYSA-N |