3-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
3-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4068 |
| Compound Name: | 3-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C23 H32 N2 O5 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)OC)(=O)=O)C(NC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9262 |
| logD: | 4.9261 |
| logSw: | -4.685 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.321 |
| InChI Key: | REOJFKNZVWAWNI-KRWDZBQOSA-N |