N-[2-(2,5-dimethoxyphenyl)ethyl]-3-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
Chemical Structure Depiction of
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
Compound characteristics
| Compound ID: | C741-0554 |
| Compound Name: | N-[2-(2,5-dimethoxyphenyl)ethyl]-3-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide |
| Molecular Weight: | 529.57 |
| Molecular Formula: | C29 H28 F N5 O4 |
| Smiles: | COc1ccc(c(CCNC(CCc2nnc3N(Cc4ccc(cc4)F)C(c4ccccc4n23)=O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0527 |
| logD: | 3.0527 |
| logSw: | -3.586 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.193 |
| InChI Key: | BPWJHOQAUKMLMF-UHFFFAOYSA-N |