3-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide
Chemical Structure Depiction of
3-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide
3-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide
Compound characteristics
| Compound ID: | Y501-4350 |
| Compound Name: | 3-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide |
| Molecular Weight: | 282.79 |
| Molecular Formula: | C13 H15 Cl N2 O S |
| Smiles: | C1CCc2c(C#N)c(NC(CC[Cl])=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.2089 |
| logD: | 2.0796 |
| logSw: | -3.509 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.49 |
| InChI Key: | LLWGECDSVWTFQA-UHFFFAOYSA-N |