N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-{4-[(3-fluorophenyl)methoxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-methylpropanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-{4-[(3-fluorophenyl)methoxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-methylpropanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-{4-[(3-fluorophenyl)methoxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-methylpropanamide
Compound characteristics
| Compound ID: | V020-8960 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-{4-[(3-fluorophenyl)methoxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-methylpropanamide |
| Molecular Weight: | 546.6 |
| Molecular Formula: | C30 H31 F N4 O5 |
| Salt: | not_available |
| Smiles: | CN(CCc1ccc(c(c1)OC)OC)C(CCC1C(N=C(c2ccc(cc2)OCc2cccc(c2)F)NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5173 |
| logD: | 2.576 |
| logSw: | -3.7956 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.67 |
| InChI Key: | VNSJJLMZZPMMMN-UHFFFAOYSA-N |