ethyl 4-[3-(3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperazine-1-carboxylate
ethyl 4-[3-(3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | V021-0530 |
| Compound Name: | ethyl 4-[3-(3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 539.56 |
| Molecular Formula: | C27 H30 F N5 O6 |
| Salt: | not_available |
| Smiles: | CCOC(N1CCN(CC1)C(CCC1C(N=C(c2ccc(c(c2)OC)OCc2cccc(c2)F)NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.307 |
| logD: | 2.307 |
| logSw: | -2.803 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.425 |
| InChI Key: | RWBCDDNTYFOBAY-UHFFFAOYSA-N |