N-[4-(dimethylamino)-3-({N-[(oxolan-2-yl)methyl]-2-phenylbutanamido}methyl)phenyl]-3-fluorobenzamide
Chemical Structure Depiction of
N-[4-(dimethylamino)-3-({N-[(oxolan-2-yl)methyl]-2-phenylbutanamido}methyl)phenyl]-3-fluorobenzamide
N-[4-(dimethylamino)-3-({N-[(oxolan-2-yl)methyl]-2-phenylbutanamido}methyl)phenyl]-3-fluorobenzamide
Compound characteristics
| Compound ID: | V027-0056 |
| Compound Name: | N-[4-(dimethylamino)-3-({N-[(oxolan-2-yl)methyl]-2-phenylbutanamido}methyl)phenyl]-3-fluorobenzamide |
| Molecular Weight: | 517.64 |
| Molecular Formula: | C31 H36 F N3 O3 |
| Salt: | not_available |
| Smiles: | CCC(C(N(CC1CCCO1)Cc1cc(ccc1N(C)C)NC(c1cccc(c1)F)=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4352 |
| logD: | 5.4322 |
| logSw: | -5.3373 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.427 |
| InChI Key: | CBLFKSYFDGMLES-UHFFFAOYSA-N |