4-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl propane-2-sulfonate
4-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V006-3799 |
| Compound Name: | 4-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 434.55 |
| Molecular Formula: | C22 H30 N2 O5 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(C(C)C)(=O)=O)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5101 |
| logD: | 4.5101 |
| logSw: | -4.2626 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.564 |
| InChI Key: | YXLBXJVHRHWHJH-KRWDZBQOSA-N |