5-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl propane-2-sulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl propane-2-sulfonate
5-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V025-5738 |
| Compound Name: | 5-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl propane-2-sulfonate |
| Molecular Weight: | 464.58 |
| Molecular Formula: | C23 H32 N2 O6 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(C(C)C)(=O)=O)OC)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3315 |
| logD: | 4.3315 |
| logSw: | -4.2688 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.281 |
| InChI Key: | ZPVFSFNOEFWCKM-KRWDZBQOSA-N |