N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-3-[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
Chemical Structure Depiction of
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-3-[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-3-[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
Compound characteristics
| Compound ID: | C741-0817 |
| Compound Name: | N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-3-[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide |
| Molecular Weight: | 579.7 |
| Molecular Formula: | C33 H37 N7 O3 |
| Smiles: | COc1ccc(cc1)N1CCN(CCNC(CCc2nnc3N(CCc4ccccc4)C(c4ccccc4n23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.7465 |
| logD: | 2.6228 |
| logSw: | -3.5382 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.784 |
| InChI Key: | KCIXWXBLDSYXSQ-UHFFFAOYSA-N |