N-({2-[(3,5-dimethylphenyl)carbamoyl]phenyl}carbamothioyl)-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-({2-[(3,5-dimethylphenyl)carbamoyl]phenyl}carbamothioyl)-1-methyl-1H-pyrazole-3-carboxamide
N-({2-[(3,5-dimethylphenyl)carbamoyl]phenyl}carbamothioyl)-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-7574 |
| Compound Name: | N-({2-[(3,5-dimethylphenyl)carbamoyl]phenyl}carbamothioyl)-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(c1ccccc1NC(NC(c1ccn(C)n1)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2292 |
| logD: | 3.2285 |
| logSw: | -3.7377 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.325 |
| InChI Key: | AVHVUIKONYTJFR-UHFFFAOYSA-N |