3-({tert-butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-({tert-butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
3-({tert-butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-2523 |
| Compound Name: | 3-({tert-butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 481.59 |
| Molecular Formula: | C23 H32 F N3 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)NC(N(CCN(C)C)Cc1cccc(c1)OS(c1ccc(c(c1)F)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5735 |
| logD: | 0.8728 |
| logSw: | -3.9023 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.924 |
| InChI Key: | PDDUQUBWKXIBBQ-UHFFFAOYSA-N |