N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(3-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(3-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(3-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide
Compound characteristics
| Compound ID: | V022-7712 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(3-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C22 H23 F N4 O4 |
| Smiles: | COc1ccc(CCNC(CCC2C(N=C(c3cccc(c3)F)NN=2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.2538 |
| logD: | -0.8407 |
| logSw: | -2.0618 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.882 |
| InChI Key: | BAUVZJKUSXWWMH-UHFFFAOYSA-N |