3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4,5-trimethoxyphenyl)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-(3,4,5-trimethoxyphenyl)propanamide
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4,5-trimethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | C741-0594 |
| Compound Name: | 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4,5-trimethoxyphenyl)propanamide |
| Molecular Weight: | 548 |
| Molecular Formula: | C28 H26 Cl N5 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CCc1nnc2N(Cc3ccc(cc3)[Cl])C(c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1745 |
| logD: | 3.1739 |
| logSw: | -3.77 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.834 |
| InChI Key: | WFFJSHWKTXZZPT-UHFFFAOYSA-N |