3-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-0904 |
| Compound Name: | 3-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 436.54 |
| Molecular Formula: | C22 H29 F N2 O4 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(NC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9729 |
| logD: | 4.9728 |
| logSw: | -4.6637 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.778 |
| InChI Key: | GDBFVUNFEUXJHR-INIZCTEOSA-N |