N-(3-chlorophenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-(3-chlorophenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4154 |
| Compound Name: | N-(3-chlorophenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 326.76 |
| Molecular Formula: | C12 H11 Cl N4 O3 S |
| Smiles: | Cc1c(c([nH]n1)SCC(Nc1cccc(c1)[Cl])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9588 |
| logD: | 2.9483 |
| logSw: | -3.6328 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.366 |
| InChI Key: | PIONMDVBHPBDKC-UHFFFAOYSA-N |