N-(2-{2-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Chemical Structure Depiction of
N-(2-{2-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
N-(2-{2-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Compound characteristics
| Compound ID: | 1359-0182 |
| Compound Name: | N-(2-{2-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| Molecular Weight: | 453.88 |
| Molecular Formula: | C22 H20 Cl N5 O4 |
| Smiles: | Cc1c(/C=N/NC(CNC(c2ccc3c(c2)OCCO3)=O)=O)c(n(c2ccccc2)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.2946 |
| logD: | 2.2888 |
| logSw: | -3.4601 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.648 |
| InChI Key: | UGQPMBLFJKKCHZ-UHFFFAOYSA-N |