2-{4-[(4-fluorophenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{4-[(4-fluorophenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}-N-[(3-methoxyphenyl)methyl]acetamide
2-{4-[(4-fluorophenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F365-0174 |
| Compound Name: | 2-{4-[(4-fluorophenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 487.49 |
| Molecular Formula: | C26 H22 F N5 O4 |
| Smiles: | COc1cccc(CNC(CN2C(N3C(=N2)N(Cc2ccc(cc2)F)C(c2ccccc23)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3118 |
| logD: | 3.3118 |
| logSw: | -3.8538 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.951 |
| InChI Key: | ROBJVRDASFSXIB-UHFFFAOYSA-N |