N-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}azepane-1-carbothioamide
Chemical Structure Depiction of
N-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}azepane-1-carbothioamide
N-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}azepane-1-carbothioamide
Compound characteristics
| Compound ID: | Y502-7453 |
| Compound Name: | N-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}azepane-1-carbothioamide |
| Molecular Weight: | 348.9 |
| Molecular Formula: | C17 H21 Cl N4 S |
| Smiles: | C1CCCN(CC1)C(Nc1cnn(Cc2ccc(cc2)[Cl])c1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.0555 |
| logD: | 4.0555 |
| logSw: | -4.3861 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.9733 |
| InChI Key: | KAXNBPJLINSBIE-UHFFFAOYSA-N |