6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~2~-dimethyl-N~4~-(propan-2-yl)-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~-dimethyl-N~4~-(propan-2-yl)-1,3,5-triazine-2,4-diamine
6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~2~-dimethyl-N~4~-(propan-2-yl)-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | D684-0301 |
| Compound Name: | 6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~2~-dimethyl-N~4~-(propan-2-yl)-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 404.92 |
| Molecular Formula: | C17 H21 Cl N8 S |
| Smiles: | CC(C)Nc1nc(nc(n1)n1cnc(n1)SCc1ccc(cc1)[Cl])N(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.6856 |
| logD: | 4.611 |
| logSw: | -4.8168 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.768 |
| InChI Key: | GKQGHOBYMDJOJY-UHFFFAOYSA-N |