3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}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-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}propanamide
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}propanamide
Compound characteristics
| Compound ID: | C741-0654 |
| Compound Name: | 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}propanamide |
| Molecular Weight: | 612.18 |
| Molecular Formula: | C34 H38 Cl N7 O2 |
| Smiles: | CC1CN(CCCNC(CCc2nnc3N(Cc4ccc(cc4)[Cl])C(c4ccccc4n23)=O)=O)CCN1c1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1659 |
| logD: | 3.598 |
| logSw: | -4.4338 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.48 |
| InChI Key: | PZKNCYYBBZZPHM-VWLOTQADSA-N |