4-({[2-(4-methoxyphenyl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({[2-(4-methoxyphenyl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
4-({[2-(4-methoxyphenyl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y600-1612 |
| Compound Name: | 4-({[2-(4-methoxyphenyl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C20 H20 N4 O4 |
| Smiles: | CC1\C(=C/NCCc2ccc(cc2)OC)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4323 |
| logD: | 2.4317 |
| logSw: | -2.741 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.486 |
| InChI Key: | ALMDQOGCHGBVAM-UHFFFAOYSA-N |