3-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
3-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V024-3725 |
| Compound Name: | 3-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C26 H30 N2 O6 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)OC)(=O)=O)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4091 |
| logD: | 5.4091 |
| logSw: | -5.3388 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.836 |
| InChI Key: | UXLOLOLUPVMMJG-IBGZPJMESA-N |