N~2~,N~2~-dimethyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-N~4~-(propan-2-yl)-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
N~2~,N~2~-dimethyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-N~4~-(propan-2-yl)-1,3,5-triazine-2,4-diamine
N~2~,N~2~-dimethyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-N~4~-(propan-2-yl)-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | D441-0018 |
| Compound Name: | N~2~,N~2~-dimethyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-N~4~-(propan-2-yl)-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C18 H24 N8 O S |
| Smiles: | CC(C)Nc1nc(nc(n1)n1cnc(n1)SCCOc1ccccc1)N(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.2151 |
| logD: | 4.1405 |
| logSw: | -4.1958 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.186 |
| InChI Key: | WKIRDWYIWKOWOI-UHFFFAOYSA-N |