N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)carbamothioyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)carbamothioyl]thiophene-2-carboxamide
N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)carbamothioyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 5609-1446 |
| Compound Name: | N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)carbamothioyl]thiophene-2-carboxamide |
| Molecular Weight: | 356.47 |
| Molecular Formula: | C17 H16 N4 O S2 |
| Smiles: | Cc1c(c(C)n(c2ccccc2)n1)NC(NC(c1cccs1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.0196 |
| logD: | 3.018 |
| logSw: | -3.377 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.28 |
| InChI Key: | IPYURNCXPLBFQJ-UHFFFAOYSA-N |