ethyl [(1-{4-(dimethylamino)-6-[(2-methylpropyl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(1-{4-(dimethylamino)-6-[(2-methylpropyl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
ethyl [(1-{4-(dimethylamino)-6-[(2-methylpropyl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D385-0363 |
| Compound Name: | ethyl [(1-{4-(dimethylamino)-6-[(2-methylpropyl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C15 H24 N8 O2 S |
| Smiles: | CCOC(CSc1ncn(c2nc(NCC(C)C)nc(n2)N(C)C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4758 |
| logD: | 3.4742 |
| logSw: | -3.8403 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.224 |
| InChI Key: | ZAWOWJATXHZCGV-UHFFFAOYSA-N |