N-[(furan-2-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
N-[(furan-2-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D116-0242 |
| Compound Name: | N-[(furan-2-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C19 H17 N5 O3 S |
| Smiles: | Cc1ccc(cc1)S(n1c(NCc2ccco2)nc(c2cccnc2)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0811 |
| logD: | 2.7494 |
| logSw: | -3.1993 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.5 |
| InChI Key: | CMNUEIARHAXUPW-UHFFFAOYSA-N |