5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-2823 |
| Compound Name: | 5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 532.66 |
| Molecular Formula: | C27 H36 N2 O7 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1cc(CN(CC2CCCO2)C(CC(C)(C)C)=O)ccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1648 |
| logD: | 3.1647 |
| logSw: | -3.5244 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.317 |
| InChI Key: | FFTHLBKSDDOQLW-JOCHJYFZSA-N |