2-[(5-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-5-(4-methylphenyl)-2H-tetrazole
Chemical Structure Depiction of
2-[(5-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-5-(4-methylphenyl)-2H-tetrazole
2-[(5-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-5-(4-methylphenyl)-2H-tetrazole
Compound characteristics
| Compound ID: | 8017-3743 |
| Compound Name: | 2-[(5-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-5-(4-methylphenyl)-2H-tetrazole |
| Molecular Weight: | 514.4 |
| Molecular Formula: | C21 H20 Br N7 O2 S |
| Smiles: | CCn1c(Cn2nc(c3ccc(C)cc3)nn2)nnc1SCc1cc2c(cc1[Br])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.6234 |
| logD: | 4.6189 |
| logSw: | -4.4026 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 80.432 |
| InChI Key: | HQOHJYBIXANTMU-UHFFFAOYSA-N |