1,5-dimethyl-4-({[3-nitro-4-(piperidin-1-yl)phenyl]methylidene}amino)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
1,5-dimethyl-4-({[3-nitro-4-(piperidin-1-yl)phenyl]methylidene}amino)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
1,5-dimethyl-4-({[3-nitro-4-(piperidin-1-yl)phenyl]methylidene}amino)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 1685-0088 |
| Compound Name: | 1,5-dimethyl-4-({[3-nitro-4-(piperidin-1-yl)phenyl]methylidene}amino)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H25 N5 O3 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)/N=C\c1ccc(c(c1)[N+]([O-])=O)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.2458 |
| logD: | 3.2458 |
| logSw: | -3.6099 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.979 |
| InChI Key: | IVMOECSBMNBSTQ-UHFFFAOYSA-N |