{4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl}{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl}methanone
Chemical Structure Depiction of
{4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl}{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl}methanone
{4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl}{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl}methanone
Compound characteristics
| Compound ID: | Y509-0892 |
| Compound Name: | {4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl}{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl}methanone |
| Molecular Weight: | 507.38 |
| Molecular Formula: | C22 H24 Cl2 N6 O4 |
| Smiles: | Cc1c(c(C)n(Cc2c(C(N3CCN(CC3)Cc3ccc(c(c3)[Cl])[Cl])=O)noc2C)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0351 |
| logD: | 3.0332 |
| logSw: | -3.4159 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.72 |
| InChI Key: | NTCMWJITTUXWTG-UHFFFAOYSA-N |