2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V002-1391 |
| Compound Name: | 2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 394.46 |
| Molecular Formula: | C19 H23 F N2 O4 S |
| Smiles: | CCNC(N(Cc1ccccc1OS(c1ccc(cc1)F)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8484 |
| logD: | 3.8484 |
| logSw: | -3.9331 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.082 |
| InChI Key: | WLVUVGZMXRGIER-UHFFFAOYSA-N |