N-[(2-bromo-4-methylphenyl)carbamothioyl]-4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[(2-bromo-4-methylphenyl)carbamothioyl]-4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxamide
N-[(2-bromo-4-methylphenyl)carbamothioyl]-4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-9756 |
| Compound Name: | N-[(2-bromo-4-methylphenyl)carbamothioyl]-4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 401.71 |
| Molecular Formula: | C14 H14 Br Cl N4 O S |
| Smiles: | Cc1ccc(c(c1)[Br])NC(NC(c1c(c(C)nn1C)[Cl])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.6186 |
| logD: | 3.5869 |
| logSw: | -4.2624 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.411 |
| InChI Key: | MTGVMFWQTHGEQR-UHFFFAOYSA-N |