3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
Chemical Structure Depiction of
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
Compound characteristics
| Compound ID: | Y501-7516 |
| Compound Name: | 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide |
| Molecular Weight: | 442.31 |
| Molecular Formula: | C21 H20 Br N3 O3 |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)C(Nc2ccc3c(c2)OCCO3)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.6412 |
| logD: | 2.6366 |
| logSw: | -3.0629 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.435 |
| InChI Key: | IJZHSYTVWPGMQO-UHFFFAOYSA-N |