4-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
4-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3536-0348 |
| Compound Name: | 4-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 380.36 |
| Molecular Formula: | C19 H16 N4 O5 |
| Smiles: | CC1\C(=C/NCc2ccc3c(c2)OCO3)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1648 |
| logD: | 2.1646 |
| logSw: | -2.8867 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.216 |
| InChI Key: | SARJLBCGLYSMGC-UHFFFAOYSA-N |