3-{4-[(butan-2-yl)oxy]-3-methoxyphenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-{4-[(butan-2-yl)oxy]-3-methoxyphenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one
3-{4-[(butan-2-yl)oxy]-3-methoxyphenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V025-2244 |
| Compound Name: | 3-{4-[(butan-2-yl)oxy]-3-methoxyphenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C21 H28 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)Oc1ccc(cc1OC)C1NN=C(CCC(N2CCSCC2)=O)C(N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9539 |
| logD: | 1.9539 |
| logSw: | -2.6234 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.103 |
| InChI Key: | QAZBVACPULWOLR-AWEZNQCLSA-N |