(6-bromo-2H-1,3-benzodioxol-5-yl)methyl 4-{2-[(4-fluorophenyl)methyl]-2H-tetrazol-5-yl}benzoate
Chemical Structure Depiction of
(6-bromo-2H-1,3-benzodioxol-5-yl)methyl 4-{2-[(4-fluorophenyl)methyl]-2H-tetrazol-5-yl}benzoate
(6-bromo-2H-1,3-benzodioxol-5-yl)methyl 4-{2-[(4-fluorophenyl)methyl]-2H-tetrazol-5-yl}benzoate
Compound characteristics
| Compound ID: | 8017-7316 |
| Compound Name: | (6-bromo-2H-1,3-benzodioxol-5-yl)methyl 4-{2-[(4-fluorophenyl)methyl]-2H-tetrazol-5-yl}benzoate |
| Molecular Weight: | 511.31 |
| Molecular Formula: | C23 H16 Br F N4 O4 |
| Smiles: | C(c1ccc(cc1)F)n1nc(c2ccc(cc2)C(=O)OCc2cc3c(cc2[Br])OCO3)nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.3936 |
| logD: | 5.3936 |
| logSw: | -5.889 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 76.315 |
| InChI Key: | AEOUHDRTFRXJFD-UHFFFAOYSA-N |