N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-5-propanamidobenzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-5-propanamidobenzamide
N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-5-propanamidobenzamide
Compound characteristics
| Compound ID: | V029-0102 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-5-propanamidobenzamide |
| Molecular Weight: | 492.55 |
| Molecular Formula: | C27 H29 F N4 O4 |
| Salt: | not_available |
| Smiles: | CCC(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCCN(CC1)C(c1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4425 |
| logD: | 3.4423 |
| logSw: | -3.747 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.318 |
| InChI Key: | CITXJKXVKSUVGF-UHFFFAOYSA-N |