3-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one
3-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V010-0764 |
| Compound Name: | 3-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C20 H26 N4 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)Oc1ccc(cc1OC)C1NN=C(CCC(N2CCSCC2)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1982 |
| logD: | 1.1982 |
| logSw: | -2.3327 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.22 |
| InChI Key: | VJHCPODDRKFGHU-UHFFFAOYSA-N |