6-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~2~,N~4~-diphenyl-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~2~,N~4~-diphenyl-1,3,5-triazine-2,4-diamine
6-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~2~,N~4~-diphenyl-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | Y020-5398 |
| Compound Name: | 6-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~2~,N~4~-diphenyl-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 513.02 |
| Molecular Formula: | C26 H21 Cl N8 S |
| Smiles: | C=CCn1c(c2ccc(cc2)[Cl])nnc1Sc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.8759 |
| logD: | 7.8758 |
| logSw: | -6.8985 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.901 |
| InChI Key: | BFNIJLGTTWOPTP-UHFFFAOYSA-N |