ethyl ({1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D385-0153 |
| Compound Name: | ethyl ({1-[4,6-bis(dimethylamino)-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: | CCOC(CSc1ncn(c2nc(nc(n2)N(C)C)N(C)C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7464 |
| logD: | 2.7268 |
| logSw: | -2.743 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.315 |
| InChI Key: | VKNFPLRSXIVIHS-UHFFFAOYSA-N |