N-tert-butyl-2-{2-methoxy-4-[({2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-tert-butyl-2-{2-methoxy-4-[({2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide--hydrogen chloride (1/1)
N-tert-butyl-2-{2-methoxy-4-[({2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8104-04990 |
| Compound Name: | N-tert-butyl-2-{2-methoxy-4-[({2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide--hydrogen chloride (1/1) |
| Molecular Weight: | 444.98 |
| Molecular Formula: | C18 H28 N6 O3 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1ccc(c(c1)OC)OCC(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8804 |
| logD: | -3.4156 |
| logSw: | -2.4047 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.701 |
| InChI Key: | RRGUNDOPHAMEJB-UHFFFAOYSA-N |