N-benzyl-1-(4-methylbenzene-1-sulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
N-benzyl-1-(4-methylbenzene-1-sulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
N-benzyl-1-(4-methylbenzene-1-sulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D116-0280 |
| Compound Name: | N-benzyl-1-(4-methylbenzene-1-sulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C21 H19 N5 O2 S |
| Smiles: | Cc1ccc(cc1)S(n1c(NCc2ccccc2)nc(c2cccnc2)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3304 |
| logD: | 2.9987 |
| logSw: | -3.4505 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.751 |
| InChI Key: | AQSZGCALQUMLEP-UHFFFAOYSA-N |