2-{2-bromo-6-methoxy-4-[({2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-{2-bromo-6-methoxy-4-[({2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide--hydrogen chloride (1/1)
2-{2-bromo-6-methoxy-4-[({2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D175-0017 |
| Compound Name: | 2-{2-bromo-6-methoxy-4-[({2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide--hydrogen chloride (1/1) |
| Molecular Weight: | 467.77 |
| Molecular Formula: | C14 H19 Br N6 O3 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1cc(c(c(c1)[Br])OCC(N)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.1915 |
| logD: | -4.1045 |
| logSw: | -1.8166 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.88 |
| InChI Key: | NYAFFOKTQAFVKJ-UHFFFAOYSA-N |