{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(4-methylphenyl)methanone
Chemical Structure Depiction of
{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(4-methylphenyl)methanone
{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(4-methylphenyl)methanone
Compound characteristics
| Compound ID: | 5795-0114 |
| Compound Name: | {3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(4-methylphenyl)methanone |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C19 H17 N3 O3 S |
| Smiles: | Cc1ccc(cc1)C(n1c(C)c(c(C)n1)Sc1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8186 |
| logD: | 3.8186 |
| logSw: | -4.0605 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.661 |
| InChI Key: | IPVDHAPNVDFZOX-UHFFFAOYSA-N |