N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-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-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
Compound characteristics
| Compound ID: | C741-0825 |
| Compound Name: | N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide |
| Molecular Weight: | 591.76 |
| Molecular Formula: | C35 H41 N7 O2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CCCNC(CCc2nnc3N(CCc4ccccc4)C(c4ccccc4n23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.9237 |
| logD: | 2.723 |
| logSw: | -3.9876 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.94 |
| InChI Key: | HHUIWFOBOUIYIT-UHFFFAOYSA-N |