N-[(4-fluorophenyl)methyl]-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-5-propanamidobenzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-5-propanamidobenzamide
N-[(4-fluorophenyl)methyl]-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-5-propanamidobenzamide
Compound characteristics
| Compound ID: | V005-3037 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-5-propanamidobenzamide |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C27 H35 F N4 O3 |
| Salt: | not_available |
| Smiles: | CCC(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCCN(CC1)C(CC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9867 |
| logD: | 3.9864 |
| logSw: | -4.0953 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.484 |
| InChI Key: | DAEZJFNFEODPSD-UHFFFAOYSA-N |