5-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-4333 |
| Compound Name: | 5-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 504.65 |
| Molecular Formula: | C26 H36 N2 O6 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)OC)C(CC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.29 |
| logD: | 4.2899 |
| logSw: | -4.328 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.262 |
| InChI Key: | JRIRMDBBBIUAMI-SFHVURJKSA-N |