3-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
3-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-9245 |
| Compound Name: | 3-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 466.57 |
| Molecular Formula: | C23 H31 F N2 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(N(CCN(C)C)Cc1cccc(c1)OS(c1ccc(c(c1)F)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5747 |
| logD: | 2.6859 |
| logSw: | -3.8812 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.43 |
| InChI Key: | LEIFGHXIMANJLF-UHFFFAOYSA-N |