3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[ethyl(3-methylphenyl)amino]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-[ethyl(3-methylphenyl)amino]propyl}propanamide
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[ethyl(3-methylphenyl)amino]propyl}propanamide
Compound characteristics
| Compound ID: | C741-0632 |
| Compound Name: | 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[ethyl(3-methylphenyl)amino]propyl}propanamide |
| Molecular Weight: | 557.1 |
| Molecular Formula: | C31 H33 Cl N6 O2 |
| Smiles: | CCN(CCCNC(CCc1nnc2N(Cc3ccc(cc3)[Cl])C(c3ccccc3n12)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4841 |
| logD: | 4.4519 |
| logSw: | -4.5535 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.009 |
| InChI Key: | XNUUUBLDOCLPNQ-UHFFFAOYSA-N |