butyl 2-{[4-({N-[(furan-2-yl)methyl](propan-2-yl)carbamamido}methyl)phenoxy]sulfonyl}benzoate
Chemical Structure Depiction of
butyl 2-{[4-({N-[(furan-2-yl)methyl](propan-2-yl)carbamamido}methyl)phenoxy]sulfonyl}benzoate
butyl 2-{[4-({N-[(furan-2-yl)methyl](propan-2-yl)carbamamido}methyl)phenoxy]sulfonyl}benzoate
Compound characteristics
| Compound ID: | V030-1597 |
| Compound Name: | butyl 2-{[4-({N-[(furan-2-yl)methyl](propan-2-yl)carbamamido}methyl)phenoxy]sulfonyl}benzoate |
| Molecular Weight: | 528.62 |
| Molecular Formula: | C27 H32 N2 O7 S |
| Smiles: | CCCCOC(c1ccccc1S(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(NC(C)C)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2485 |
| logD: | 5.2485 |
| logSw: | -5.0233 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.125 |
| InChI Key: | OVCIOPDJZDSARH-UHFFFAOYSA-N |