(3-bromophenyl)methyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoate
Chemical Structure Depiction of
(3-bromophenyl)methyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoate
(3-bromophenyl)methyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoate
Compound characteristics
| Compound ID: | 8012-2624 |
| Compound Name: | (3-bromophenyl)methyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoate |
| Molecular Weight: | 477.33 |
| Molecular Formula: | C19 H17 Br N4 O4 S |
| Smiles: | CCOC(CSc1nnnn1c1ccc(cc1)C(=O)OCc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5424 |
| logD: | 4.5424 |
| logSw: | -4.5438 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.177 |
| InChI Key: | IKWOPGQLOJKUET-UHFFFAOYSA-N |