4-{[(2-{4-[(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl}ethyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[(2-{4-[(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl}ethyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
4-{[(2-{4-[(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl}ethyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y600-0285 |
| Compound Name: | 4-{[(2-{4-[(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl}ethyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 536.59 |
| Molecular Formula: | C27 H32 N6 O6 |
| Smiles: | CC1\C(=C/NCCN2CCN(CC2)C(Cc2ccc(c(c2)OC)OC)=O)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2277 |
| logD: | 1.1452 |
| logSw: | -2.3937 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.114 |
| InChI Key: | IYLWIWZDJXCODT-UHFFFAOYSA-N |