methyl [(1-{4-(dimethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(1-{4-(dimethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
methyl [(1-{4-(dimethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D385-0108 |
| Compound Name: | methyl [(1-{4-(dimethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 352.42 |
| Molecular Formula: | C13 H20 N8 O2 S |
| Smiles: | CC(C)Nc1nc(nc(n1)n1cnc(n1)SCC(=O)OC)N(C)C |
| Stereo: | ACHIRAL |
| logP: | 2.3864 |
| logD: | 2.3118 |
| logSw: | -2.5216 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.618 |
| InChI Key: | KJNCNAWDUMVXTM-UHFFFAOYSA-N |