5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-0183 |
| Compound Name: | 5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 533.64 |
| Molecular Formula: | C26 H35 N3 O7 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1cc(CN(CC2CCCO2)C(NC(C)(C)C)=O)ccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.721 |
| logD: | 2.7208 |
| logSw: | -3.408 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.811 |
| InChI Key: | XVOIRXUMFOOUMM-OAQYLSRUSA-N |