4-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
4-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-9746 |
| Compound Name: | 4-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 393.91 |
| Molecular Formula: | C16 H16 Cl N5 O S2 |
| Smiles: | Cc1c(c(C(NC(Nc2c(C#N)c3CCCCc3s2)=S)=O)n(C)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.317 |
| logD: | 2.2091 |
| logSw: | -4.4751 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.88 |
| InChI Key: | HWGPNYSVJMWIQE-UHFFFAOYSA-N |