2-(4-fluorophenyl)-1-{4-[3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenyl)-1-{4-[3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}ethan-1-one
2-(4-fluorophenyl)-1-{4-[3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V028-6926 |
| Compound Name: | 2-(4-fluorophenyl)-1-{4-[3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C29 H27 F N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccccc1c1nnc2c3ccccc3nc(N3CCCN(CC3)C(Cc3ccc(cc3)F)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.9676 |
| logD: | 4.8516 |
| logSw: | -4.8547 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.253 |
| InChI Key: | WVNKWBMRZKZDKF-UHFFFAOYSA-N |