methyl ({1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D385-0139 |
| Compound Name: | methyl ({1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 338.39 |
| Molecular Formula: | C12 H18 N8 O2 S |
| Smiles: | CN(C)c1nc(nc(n1)n1cnc(n1)SCC(=O)OC)N(C)C |
| Stereo: | ACHIRAL |
| logP: | 2.1553 |
| logD: | 2.1357 |
| logSw: | -2.1468 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.735 |
| InChI Key: | ABPIKSBKAUSKSR-UHFFFAOYSA-N |