N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-methylbenzamide
Chemical Structure Depiction of
N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-methylbenzamide
N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-methylbenzamide
Compound characteristics
| Compound ID: | Y500-9771 |
| Compound Name: | N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-methylbenzamide |
| Molecular Weight: | 369.51 |
| Molecular Formula: | C19 H19 N3 O S2 |
| Smiles: | Cc1ccccc1C(NC(Nc1c(C#N)c2CCCCCc2s1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8391 |
| logD: | 4.5086 |
| logSw: | -4.5961 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.342 |
| InChI Key: | KTONBBOIFGMBBR-UHFFFAOYSA-N |