3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(oxolan-2-yl)methyl]propanamide
Chemical Structure Depiction of
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(oxolan-2-yl)methyl]propanamide
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(oxolan-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | C741-0592 |
| Compound Name: | 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[(oxolan-2-yl)methyl]propanamide |
| Molecular Weight: | 465.94 |
| Molecular Formula: | C24 H24 Cl N5 O3 |
| Smiles: | C1CC(CNC(CCc2nnc3N(Cc4ccc(cc4)[Cl])C(c4ccccc4n23)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9497 |
| logD: | 1.9497 |
| logSw: | -3.1789 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.832 |
| InChI Key: | NYIYJALKMRDHGN-GOSISDBHSA-N |