3-{4-[(2-chlorophenyl)methoxy]phenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-{4-[(2-chlorophenyl)methoxy]phenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one
3-{4-[(2-chlorophenyl)methoxy]phenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V025-2636 |
| Compound Name: | 3-{4-[(2-chlorophenyl)methoxy]phenyl}-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 470.98 |
| Molecular Formula: | C23 H23 Cl N4 O3 S |
| Salt: | not_available |
| Smiles: | C(CC(N1CCSCC1)=O)C1C(N=C(c2ccc(cc2)OCc2ccccc2[Cl])NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8235 |
| logD: | 1.8822 |
| logSw: | -3.5561 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.928 |
| InChI Key: | KUNQNCQHRLROJW-UHFFFAOYSA-N |