1-(methanesulfonyl)-N-[(4-methoxyphenyl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
1-(methanesulfonyl)-N-[(4-methoxyphenyl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
1-(methanesulfonyl)-N-[(4-methoxyphenyl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D116-0315 |
| Compound Name: | 1-(methanesulfonyl)-N-[(4-methoxyphenyl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C16 H17 N5 O3 S |
| Smiles: | COc1ccc(CNc2nc(c3cccnc3)nn2S(C)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.2529 |
| logD: | 0.9211 |
| logSw: | -1.6613 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.059 |
| InChI Key: | KWUOKUPTCBOGOP-UHFFFAOYSA-N |