methyl ({1-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({1-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({1-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D385-0157 |
| Compound Name: | methyl ({1-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C16 H22 N8 O4 S |
| Smiles: | COC(CSc1ncn(c2nc(nc(n2)N2CCOCC2)N2CCOCC2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0141 |
| logD: | 2.0138 |
| logSw: | -1.9846 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 92.848 |
| InChI Key: | GKJBPPHTGCCZDD-UHFFFAOYSA-N |