{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[4-(thiophene-2-sulfonyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[4-(thiophene-2-sulfonyl)piperazin-1-yl]methanone
{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[4-(thiophene-2-sulfonyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | Y502-9872 |
| Compound Name: | {4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[4-(thiophene-2-sulfonyl)piperazin-1-yl]methanone |
| Molecular Weight: | 495.96 |
| Molecular Formula: | C19 H18 Cl N5 O5 S2 |
| Smiles: | C1CN(CCN1C(c1ccc(Cn2cc(c(n2)[N+]([O-])=O)[Cl])cc1)=O)S(c1cccs1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9538 |
| logD: | 1.9538 |
| logSw: | -2.784 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.02 |
| InChI Key: | OPABWNVVYXACLX-UHFFFAOYSA-N |