(2-chlorophenyl){3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}methanone
Chemical Structure Depiction of
(2-chlorophenyl){3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}methanone
(2-chlorophenyl){3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}methanone
Compound characteristics
| Compound ID: | 4676-0574 |
| Compound Name: | (2-chlorophenyl){3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}methanone |
| Molecular Weight: | 387.84 |
| Molecular Formula: | C18 H14 Cl N3 O3 S |
| Smiles: | Cc1c(c(C)n(C(c2ccccc2[Cl])=O)n1)Sc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8654 |
| logD: | 3.8654 |
| logSw: | -4.2795 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.962 |
| InChI Key: | QTUPNVBBPQDHLS-UHFFFAOYSA-N |