N~2~-methyl-N~4~-(2-methylpropyl)-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~-methyl-N~4~-(2-methylpropyl)-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazine-2,4-diamine
N~2~-methyl-N~4~-(2-methylpropyl)-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | D684-0088 |
| Compound Name: | N~2~-methyl-N~4~-(2-methylpropyl)-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C18 H24 N8 O S |
| Smiles: | CC(C)CNc1nc(NC)nc(n1)n1cnc(n1)SCCOc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1957 |
| logD: | 4.1953 |
| logSw: | -4.1625 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.271 |
| InChI Key: | NDSOJRHWSPFOEB-UHFFFAOYSA-N |