{4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(2,4-difluorophenyl)methanone
Chemical Structure Depiction of
{4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(2,4-difluorophenyl)methanone
{4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(2,4-difluorophenyl)methanone
Compound characteristics
| Compound ID: | V025-0295 |
| Compound Name: | {4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(2,4-difluorophenyl)methanone |
| Molecular Weight: | 532.98 |
| Molecular Formula: | C28 H23 Cl F2 N6 O |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)c1nnc2c3ccc(cc3nc(N3CCCN(CC3)C(c3ccc(cc3F)F)=O)n12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.3075 |
| logD: | 6.0268 |
| logSw: | -6.1778 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.78 |
| InChI Key: | MJCZNEUNEBTYHF-UHFFFAOYSA-N |