3-(3-{4-[(butan-2-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-[(oxolan-2-yl)methyl]propanamide
Chemical Structure Depiction of
3-(3-{4-[(butan-2-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-[(oxolan-2-yl)methyl]propanamide
3-(3-{4-[(butan-2-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-[(oxolan-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | V021-9348 |
| Compound Name: | 3-(3-{4-[(butan-2-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-[(oxolan-2-yl)methyl]propanamide |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C21 H28 N4 O4 |
| Salt: | not_available |
| Smiles: | CCC(C)Oc1ccc(cc1)C1NN=C(CCC(NCC2CCCO2)=O)C(N=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6844 |
| logD: | 0.7431 |
| logSw: | -2.2597 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.12 |
| InChI Key: | VYFYWUPRLUCVIP-UHFFFAOYSA-N |