3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide
Chemical Structure Depiction of
3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide
3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | C741-0760 |
| Compound Name: | 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide |
| Molecular Weight: | 546.03 |
| Molecular Formula: | C29 H28 Cl N5 O4 |
| Smiles: | COc1ccc(c(CCNC(CCc2nnc3N(Cc4ccccc4[Cl])C(c4ccccc4n23)=O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5076 |
| logD: | 3.5076 |
| logSw: | -3.8958 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.193 |
| InChI Key: | IHTBDMACRMPGIE-UHFFFAOYSA-N |