{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}[3-nitro-4-(piperidin-1-yl)phenyl]methanone
Chemical Structure Depiction of
{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}[3-nitro-4-(piperidin-1-yl)phenyl]methanone
{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}[3-nitro-4-(piperidin-1-yl)phenyl]methanone
Compound characteristics
| Compound ID: | 3335-0220 |
| Compound Name: | {3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}[3-nitro-4-(piperidin-1-yl)phenyl]methanone |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C23 H23 N5 O5 S |
| Smiles: | Cc1c(c(C)n(C(c2ccc(c(c2)[N+]([O-])=O)N2CCCCC2)=O)n1)Sc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2894 |
| logD: | 4.2894 |
| logSw: | -4.3459 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.194 |
| InChI Key: | USIIIQMBLQOZGJ-UHFFFAOYSA-N |