2-chloro-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-5-(methylsulfanyl)benzamide
Chemical Structure Depiction of
2-chloro-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-5-(methylsulfanyl)benzamide
2-chloro-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-5-(methylsulfanyl)benzamide
Compound characteristics
| Compound ID: | Y501-0142 |
| Compound Name: | 2-chloro-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-5-(methylsulfanyl)benzamide |
| Molecular Weight: | 436.01 |
| Molecular Formula: | C19 H18 Cl N3 O S3 |
| Smiles: | CSc1ccc(c(c1)C(NC(Nc1c(C#N)c2CCCCCc2s1)=S)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.7966 |
| logD: | 4.0722 |
| logSw: | -6.098 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.342 |
| InChI Key: | BNXWLICBLHZQHT-UHFFFAOYSA-N |