N-[(3-methoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine
N-[(3-methoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine
Compound characteristics
| Compound ID: | D660-0109 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine |
| Molecular Weight: | 315.82 |
| Molecular Formula: | C12 H17 N5 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 0.9605 |
| logD: | -3.5966 |
| logSw: | -1.9869 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.733 |
| InChI Key: | SMTXHKNNIPKXJY-UHFFFAOYSA-N |