4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3966-4626 |
| Compound Name: | 4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C21 H22 N4 O5 |
| Smiles: | CC1\C(=C/NCCc2ccc(c(c2)OC)OC)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.967 |
| logD: | 1.9667 |
| logSw: | -2.766 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.203 |
| InChI Key: | SVBZWDUCHAFMKO-UHFFFAOYSA-N |