3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
Chemical Structure Depiction of
3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | C741-0029 |
| Compound Name: | 3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide |
| Molecular Weight: | 485.97 |
| Molecular Formula: | C27 H24 Cl N5 O2 |
| Smiles: | C(Cc1nnc2N(Cc3ccccc3)C(c3ccccc3n12)=O)C(NCCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2689 |
| logD: | 3.2689 |
| logSw: | -3.9798 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.019 |
| InChI Key: | IAHJJYNVFIAHOW-UHFFFAOYSA-N |