N~2~-ethyl-N~4~-methyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
N~2~-ethyl-N~4~-methyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazine-2,4-diamine
N~2~-ethyl-N~4~-methyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | D441-0011 |
| Compound Name: | N~2~-ethyl-N~4~-methyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 372.45 |
| Molecular Formula: | C16 H20 N8 O S |
| Smiles: | CCNc1nc(NC)nc(n1)n1cnc(n1)SCCOc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3254 |
| logD: | 3.3169 |
| logSw: | -3.5395 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.896 |
| InChI Key: | DNROKOFXBCSSLJ-UHFFFAOYSA-N |