2-ethyl-7-(3-fluoro-4-methylbenzoyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
2-ethyl-7-(3-fluoro-4-methylbenzoyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
2-ethyl-7-(3-fluoro-4-methylbenzoyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | S901-0733 |
| Compound Name: | 2-ethyl-7-(3-fluoro-4-methylbenzoyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C21 H21 F N4 O2 |
| Smiles: | CCN1C(N2CCN(C(C2=N1)c1ccccc1)C(c1ccc(C)c(c1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0134 |
| logD: | 4.0134 |
| logSw: | -4.0375 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.904 |
| InChI Key: | FVZSPKSDMWDSEF-GOSISDBHSA-N |