2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]-5-(4-methylbenzamido)benzamide
Chemical Structure Depiction of
2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]-5-(4-methylbenzamido)benzamide
2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]-5-(4-methylbenzamido)benzamide
Compound characteristics
| Compound ID: | V028-2408 |
| Compound Name: | 2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]-5-(4-methylbenzamido)benzamide |
| Molecular Weight: | 582.65 |
| Molecular Formula: | C34 H32 F2 N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCCN(CC1)C(c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6097 |
| logD: | 5.6094 |
| logSw: | -5.3856 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.682 |
| InChI Key: | XQJYUXCZAQRMJZ-UHFFFAOYSA-N |