(6-bromo-2H-1,3-benzodioxol-5-yl)methyl 4-(1H-pyrazol-1-yl)benzoate
Chemical Structure Depiction of
(6-bromo-2H-1,3-benzodioxol-5-yl)methyl 4-(1H-pyrazol-1-yl)benzoate
(6-bromo-2H-1,3-benzodioxol-5-yl)methyl 4-(1H-pyrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 8017-3742 |
| Compound Name: | (6-bromo-2H-1,3-benzodioxol-5-yl)methyl 4-(1H-pyrazol-1-yl)benzoate |
| Molecular Weight: | 401.21 |
| Molecular Formula: | C18 H13 Br N2 O4 |
| Smiles: | C(c1cc2c(cc1[Br])OCO2)OC(c1ccc(cc1)n1cccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2947 |
| logD: | 4.2947 |
| logSw: | -4.5424 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.586 |
| InChI Key: | DYLJZIOIKJHPSK-UHFFFAOYSA-N |