butyl 2-{[4-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenoxy]sulfonyl}benzoate
Chemical Structure Depiction of
butyl 2-{[4-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenoxy]sulfonyl}benzoate
butyl 2-{[4-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenoxy]sulfonyl}benzoate
Compound characteristics
| Compound ID: | V030-6291 |
| Compound Name: | butyl 2-{[4-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenoxy]sulfonyl}benzoate |
| Molecular Weight: | 545.7 |
| Molecular Formula: | C29 H39 N O7 S |
| Smiles: | CCCCOC(c1ccccc1S(=O)(=O)Oc1ccc(CN(CC2CCCO2)C(CC(C)(C)C)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3295 |
| logD: | 5.3295 |
| logSw: | -5.2821 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.386 |
| InChI Key: | BHBZMOHIKFGGNO-XMMPIXPASA-N |