5-methyl-2-(4-nitrophenyl)-4-[({2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl}amino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-2-(4-nitrophenyl)-4-[({2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl}amino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
5-methyl-2-(4-nitrophenyl)-4-[({2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl}amino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3966-4629 |
| Compound Name: | 5-methyl-2-(4-nitrophenyl)-4-[({2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl}amino)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 552.59 |
| Molecular Formula: | C27 H32 N6 O7 |
| Smiles: | CC1\C(=C/NCCN2CCN(CC2)C(c2cc(c(c(c2)OC)OC)OC)=O)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.045 |
| logD: | 1.0006 |
| logSw: | -2.4444 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.359 |
| InChI Key: | JHMZRRFVYOFOGL-UHFFFAOYSA-N |