2-methoxy-5-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl propane-2-sulfonate
Chemical Structure Depiction of
2-methoxy-5-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl propane-2-sulfonate
2-methoxy-5-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V026-4672 |
| Compound Name: | 2-methoxy-5-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl propane-2-sulfonate |
| Molecular Weight: | 427.56 |
| Molecular Formula: | C21 H33 N O6 S |
| Smiles: | CC(C)CC(N(CC1CCCO1)Cc1ccc(c(c1)OS(C(C)C)(=O)=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6579 |
| logD: | 2.6579 |
| logSw: | -2.9805 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.326 |
| InChI Key: | YCDJWTJDPRMINY-GOSISDBHSA-N |