ethyl 4-[3-(3-{4-[(3-chlorophenyl)methoxy]phenyl}-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-chlorophenyl)methoxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperazine-1-carboxylate
ethyl 4-[3-(3-{4-[(3-chlorophenyl)methoxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | V020-8962 |
| Compound Name: | ethyl 4-[3-(3-{4-[(3-chlorophenyl)methoxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 525.99 |
| Molecular Formula: | C26 H28 Cl N5 O5 |
| Salt: | not_available |
| Smiles: | CCOC(N1CCN(CC1)C(CCC1C(N=C(c2ccc(cc2)OCc2cccc(c2)[Cl])NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.167 |
| logD: | 2.2257 |
| logSw: | -3.5876 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.708 |
| InChI Key: | GACINIBANSVQPU-UHFFFAOYSA-N |