2-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
2-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V023-9653 |
| Compound Name: | 2-{[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)Cc1ccccc1OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4072 |
| logD: | 3.4072 |
| logSw: | -3.7995 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.007 |
| InChI Key: | PENWUDIRIXVFDF-UHFFFAOYSA-N |