{4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl}(3-nitro-1H-pyrazol-5-yl)methanone
Chemical Structure Depiction of
{4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl}(3-nitro-1H-pyrazol-5-yl)methanone
{4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl}(3-nitro-1H-pyrazol-5-yl)methanone
Compound characteristics
| Compound ID: | Y501-5310 |
| Compound Name: | {4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl}(3-nitro-1H-pyrazol-5-yl)methanone |
| Molecular Weight: | 384.22 |
| Molecular Formula: | C15 H15 Cl2 N5 O3 |
| Smiles: | C1CN(CCN1Cc1c(cccc1[Cl])[Cl])C(c1cc(n[nH]1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4326 |
| logD: | 1.8727 |
| logSw: | -3.3244 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.034 |
| InChI Key: | VXXXBLXBJDCYMF-UHFFFAOYSA-N |