N-[(2-bromophenyl)carbamothioyl]-4-chloro-1-ethyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[(2-bromophenyl)carbamothioyl]-4-chloro-1-ethyl-1H-pyrazole-5-carboxamide
N-[(2-bromophenyl)carbamothioyl]-4-chloro-1-ethyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y509-0816 |
| Compound Name: | N-[(2-bromophenyl)carbamothioyl]-4-chloro-1-ethyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 387.68 |
| Molecular Formula: | C13 H12 Br Cl N4 O S |
| Smiles: | CCn1c(C(NC(Nc2ccccc2[Br])=S)=O)c(cn1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.4818 |
| logD: | 3.4366 |
| logSw: | -3.6457 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.496 |
| InChI Key: | QIZJEVWEWASDCJ-UHFFFAOYSA-N |