N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4-difluorobenzamide
Chemical Structure Depiction of
N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4-difluorobenzamide
N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4-difluorobenzamide
Compound characteristics
| Compound ID: | Y508-6936 |
| Compound Name: | N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4-difluorobenzamide |
| Molecular Weight: | 391.46 |
| Molecular Formula: | C18 H15 F2 N3 O S2 |
| Smiles: | C1CCc2c(C#N)c(NC(NC(c3ccc(c(c3)F)F)=O)=S)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.9965 |
| logD: | 4.1526 |
| logSw: | -4.9227 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.342 |
| InChI Key: | MKKSLAWAHVJHHL-UHFFFAOYSA-N |