4-({N-[2-(dimethylamino)ethyl]butanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-({N-[2-(dimethylamino)ethyl]butanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
4-({N-[2-(dimethylamino)ethyl]butanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V006-5644 |
| Compound Name: | 4-({N-[2-(dimethylamino)ethyl]butanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C21 H27 F N2 O4 S |
| Salt: | not_available |
| Smiles: | CCCC(N(CCN(C)C)Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3569 |
| logD: | 2.4681 |
| logSw: | -3.6281 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.799 |
| InChI Key: | ZDAYOZRFMJYEKR-UHFFFAOYSA-N |