3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)ethyl]propanamide
3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | C200-2371 |
| Compound Name: | 3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide |
| Molecular Weight: | 511.58 |
| Molecular Formula: | C29 H29 N5 O4 |
| Smiles: | COc1ccc(CCNC(CCc2nnc3N(Cc4ccccc4)C(c4ccccc4n23)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.1913 |
| logD: | 2.1913 |
| logSw: | -3.0901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.28 |
| InChI Key: | GACSRGYTRHYJQK-UHFFFAOYSA-N |