5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-3774 |
| Compound Name: | 5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 545.48 |
| Molecular Formula: | C24 H30 Cl2 N2 O6 S |
| Smiles: | CC(C)(C)NC(N(CC1CCCO1)Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.618 |
| logD: | 4.6179 |
| logSw: | -4.8254 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.549 |
| InChI Key: | AZICADRBUMQFFD-QGZVFWFLSA-N |