3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[2-(pyrrolidin-1-yl)ethyl]propanamide
Chemical Structure Depiction of
3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[2-(pyrrolidin-1-yl)ethyl]propanamide
3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[2-(pyrrolidin-1-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | C741-0471 |
| Compound Name: | 3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[2-(pyrrolidin-1-yl)ethyl]propanamide |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C26 H30 N6 O2 |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c(CCC(NCCN4CCCC4)=O)nnc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.979 |
| logD: | -0.1766 |
| logSw: | -2.8595 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.368 |
| InChI Key: | CTNXTVKBCYFRJY-UHFFFAOYSA-N |