2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]-5-(3-methylbutanamido)benzamide
Chemical Structure Depiction of
2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]-5-(3-methylbutanamido)benzamide
2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]-5-(3-methylbutanamido)benzamide
Compound characteristics
| Compound ID: | V025-4700 |
| Compound Name: | 2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]-5-(3-methylbutanamido)benzamide |
| Molecular Weight: | 548.63 |
| Molecular Formula: | C31 H34 F2 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCCN(CC1)C(c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0814 |
| logD: | 5.0812 |
| logSw: | -4.8292 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.74 |
| InChI Key: | QPKPYHBVQHWEET-UHFFFAOYSA-N |