3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4-dimethoxyphenyl)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-dimethoxyphenyl)propanamide
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4-dimethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | C741-0567 |
| 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-dimethoxyphenyl)propanamide |
| Molecular Weight: | 517.97 |
| Molecular Formula: | C27 H24 Cl N5 O4 |
| Smiles: | COc1ccc(cc1OC)NC(CCc1nnc2N(Cc3ccc(cc3)[Cl])C(c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3289 |
| logD: | 3.3288 |
| logSw: | -3.8851 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.117 |
| InChI Key: | RCFWQTDAIBUFRM-UHFFFAOYSA-N |