3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[2-(4-ethoxyphenyl)ethyl]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-[2-(4-ethoxyphenyl)ethyl]propanamide
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[2-(4-ethoxyphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | C741-0664 |
| Compound Name: | 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[2-(4-ethoxyphenyl)ethyl]propanamide |
| Molecular Weight: | 530.03 |
| Molecular Formula: | C29 H28 Cl N5 O3 |
| Smiles: | CCOc1ccc(CCNC(CCc2nnc3N(Cc4ccc(cc4)[Cl])C(c4ccccc4n23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6379 |
| logD: | 3.6379 |
| logSw: | -4.1413 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.143 |
| InChI Key: | LBYFNXDIKRKXLU-UHFFFAOYSA-N |