N-benzyl-N-{[2-(dimethylamino)-5-(3,3-dimethylbutanamido)phenyl]methyl}-4-fluorobenzamide
Chemical Structure Depiction of
N-benzyl-N-{[2-(dimethylamino)-5-(3,3-dimethylbutanamido)phenyl]methyl}-4-fluorobenzamide
N-benzyl-N-{[2-(dimethylamino)-5-(3,3-dimethylbutanamido)phenyl]methyl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | V026-5940 |
| Compound Name: | N-benzyl-N-{[2-(dimethylamino)-5-(3,3-dimethylbutanamido)phenyl]methyl}-4-fluorobenzamide |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C29 H34 F N3 O2 |
| Smiles: | CC(C)(C)CC(Nc1ccc(c(CN(Cc2ccccc2)C(c2ccc(cc2)F)=O)c1)N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6949 |
| logD: | 5.6805 |
| logSw: | -5.4234 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.831 |
| InChI Key: | CDDHFFDKMZAISJ-UHFFFAOYSA-N |