2-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
2-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V024-3645 |
| Compound Name: | 2-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 450.57 |
| Molecular Formula: | C23 H31 F N2 O4 S |
| Smiles: | CC(C)(C)CC(N(CCN(C)C)Cc1ccccc1OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3596 |
| logD: | 3.4708 |
| logSw: | -4.3344 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.886 |
| InChI Key: | FBOJBVDPWFQGLM-UHFFFAOYSA-N |