N-(2-oxo-2-{2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}ethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-oxo-2-{2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}ethyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-oxo-2-{2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}ethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | 1679-1166 |
| Compound Name: | N-(2-oxo-2-{2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}ethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 391.38 |
| Molecular Formula: | C20 H17 N5 O4 |
| Smiles: | C(C(N/N=C/c1c[nH]nc1c1ccccc1)=O)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5852 |
| logD: | 2.5852 |
| logSw: | -3.2557 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.331 |
| InChI Key: | KQOVBHJBUSQWMM-LSFURLLWSA-N |