3-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5771 |
| Compound Name: | 3-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 424.49 |
| Molecular Formula: | C20 H25 F N2 O5 S |
| Smiles: | CC(C)NC(N(CCOC)Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2116 |
| logD: | 3.2116 |
| logSw: | -3.7244 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.921 |
| InChI Key: | PXBQMNQBSGAARR-UHFFFAOYSA-N |