3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one
3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V005-6301 |
| Compound Name: | 3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C24 H25 F N4 O4 S |
| Smiles: | COc1cc(ccc1OCc1cccc(c1)F)C1NN=C(CCC(N2CCSCC2)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1941 |
| logD: | 2.1941 |
| logSw: | -2.812 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.645 |
| InChI Key: | NSVCJUCNTRISLP-UHFFFAOYSA-N |