8-chloro-3-cyclohexyl-5-{4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
8-chloro-3-cyclohexyl-5-{4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[4,3-c]quinazoline
8-chloro-3-cyclohexyl-5-{4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | V019-3657 |
| Compound Name: | 8-chloro-3-cyclohexyl-5-{4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 493.03 |
| Molecular Formula: | C27 H30 Cl F N6 |
| Salt: | not_available |
| Smiles: | C1CCC(CC1)c1nnc2c3ccc(cc3nc(N3CCCN(CC3)Cc3cccc(c3)F)n12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.3464 |
| logD: | 5.7919 |
| logSw: | -6.5824 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.057 |
| InChI Key: | PTXIVIOSANWFLB-UHFFFAOYSA-N |