N-({3-bromo-5-methoxy-4-[(pyridin-3-yl)methoxy]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-({3-bromo-5-methoxy-4-[(pyridin-3-yl)methoxy]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-({3-bromo-5-methoxy-4-[(pyridin-3-yl)methoxy]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D175-0098 |
| Compound Name: | N-({3-bromo-5-methoxy-4-[(pyridin-3-yl)methoxy]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 501.83 |
| Molecular Formula: | C18 H21 Br N6 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1cc(c(c(c1)[Br])OCc1cccnc1)OC |
| Stereo: | ACHIRAL |
| logP: | 1.8923 |
| logD: | -2.4037 |
| logSw: | -2.0378 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.738 |
| InChI Key: | VTTRKBKQDSWHLZ-UHFFFAOYSA-N |