N-[(4-fluorophenyl)methyl]-3-(3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3-(3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanamide
N-[(4-fluorophenyl)methyl]-3-(3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanamide
Compound characteristics
| Compound ID: | V021-4735 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3-(3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanamide |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C23 H23 F N4 O4 |
| Smiles: | COc1cc(ccc1OCC=C)C1NN=C(CCC(NCc2ccc(cc2)F)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2766 |
| logD: | 2.2766 |
| logSw: | -2.8428 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.914 |
| InChI Key: | KYGIQWZRWWTYKN-UHFFFAOYSA-N |