3-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
3-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V024-5748 |
| Compound Name: | 3-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C22 H29 N O5 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)OC)(=O)=O)C(C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5226 |
| logD: | 4.5226 |
| logSw: | -4.4311 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.354 |
| InChI Key: | DTYCSRVJBXUOHG-KRWDZBQOSA-N |