3-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1596 |
| Compound Name: | 3-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 495.04 |
| Molecular Formula: | C24 H31 Cl N2 O5 S |
| Smiles: | Cc1cccc(c1S(=O)(=O)Oc1cccc(CN(CC2CCCO2)C(NC(C)(C)C)=O)c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.401 |
| logD: | 4.4009 |
| logSw: | -4.5176 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.832 |
| InChI Key: | AILXQDINGANGMZ-HXUWFJFHSA-N |