N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | Y501-4464 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C25 H21 N3 O3 |
| Smiles: | Cc1c(C(Nc2ccc3c(c2)OCCO3)=O)c(c2ccccc2)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7224 |
| logD: | 3.7223 |
| logSw: | -4.3025 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.493 |
| InChI Key: | AHSAJRAKFXVDQH-UHFFFAOYSA-N |