N-[(4-fluorophenyl)methyl]-5-(3-methylbutanamido)-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-5-(3-methylbutanamido)-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]benzamide
N-[(4-fluorophenyl)methyl]-5-(3-methylbutanamido)-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]benzamide
Compound characteristics
| Compound ID: | V025-6124 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-5-(3-methylbutanamido)-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]benzamide |
| Molecular Weight: | 510.65 |
| Molecular Formula: | C29 H39 F N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCCN(CC1)C(CC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9069 |
| logD: | 4.9066 |
| logSw: | -4.5604 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.484 |
| InChI Key: | VESOXWWWXIJTIR-UHFFFAOYSA-N |