3-{3-[(but-3-en-1-yl)oxy]phenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-{3-[(but-3-en-1-yl)oxy]phenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one
3-{3-[(but-3-en-1-yl)oxy]phenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V003-9582 |
| Compound Name: | 3-{3-[(but-3-en-1-yl)oxy]phenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C20 H24 N4 O3 S |
| Salt: | not_available |
| Smiles: | C=CCCOc1cccc(c1)C1NN=C(CCC(N2CCSCC2)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0455 |
| logD: | 2.0455 |
| logSw: | -2.6689 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.118 |
| InChI Key: | GLRODXJPCXFSAR-UHFFFAOYSA-N |