3-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1632 |
| Compound Name: | 3-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 545.05 |
| Molecular Formula: | C27 H29 Cl N2 O6 S |
| Smiles: | Cc1cccc(c1S(=O)(=O)Oc1cccc(CN(CC2CCCO2)C(Nc2ccccc2OC)=O)c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8839 |
| logD: | 4.8839 |
| logSw: | -4.972 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.347 |
| InChI Key: | WVBNMFKJCYISPX-JOCHJYFZSA-N |