6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~2~-diethyl-N~4~-methyl-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~2~-diethyl-N~4~-methyl-1,3,5-triazine-2,4-diamine
6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~2~-diethyl-N~4~-methyl-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | D684-0042 |
| Compound Name: | 6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~2~-diethyl-N~4~-methyl-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 404.92 |
| Molecular Formula: | C17 H21 Cl N8 S |
| Smiles: | CCN(CC)c1nc(NC)nc(n1)n1cnc(n1)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8905 |
| logD: | 4.8733 |
| logSw: | -4.8542 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.876 |
| InChI Key: | WVOBZWJWIWXASZ-UHFFFAOYSA-N |