4-{2-[2-(azepane-1-carbonyl)phenyl]hydrazinylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{2-[2-(azepane-1-carbonyl)phenyl]hydrazinylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-{2-[2-(azepane-1-carbonyl)phenyl]hydrazinylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 1652-1643 |
| Compound Name: | 4-{2-[2-(azepane-1-carbonyl)phenyl]hydrazinylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C23 H25 N5 O2 |
| Smiles: | CC1/C(C(N(c2ccccc2)N=1)=O)=N/Nc1ccccc1C(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3255 |
| logD: | 4.3246 |
| logSw: | -4.2417 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.843 |
| InChI Key: | VHTMGHNBFJMJOI-UHFFFAOYSA-N |