butyl 2-{[4-({N-[(furan-2-yl)methyl]-2-methylpropanamido}methyl)phenoxy]sulfonyl}benzoate
Chemical Structure Depiction of
butyl 2-{[4-({N-[(furan-2-yl)methyl]-2-methylpropanamido}methyl)phenoxy]sulfonyl}benzoate
butyl 2-{[4-({N-[(furan-2-yl)methyl]-2-methylpropanamido}methyl)phenoxy]sulfonyl}benzoate
Compound characteristics
| Compound ID: | V030-3436 |
| Compound Name: | butyl 2-{[4-({N-[(furan-2-yl)methyl]-2-methylpropanamido}methyl)phenoxy]sulfonyl}benzoate |
| Molecular Weight: | 513.61 |
| Molecular Formula: | C27 H31 N O7 S |
| Smiles: | CCCCOC(c1ccccc1S(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(C(C)C)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2638 |
| logD: | 5.2638 |
| logSw: | -5.0846 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.008 |
| InChI Key: | BVDPQGKTKFGMKG-UHFFFAOYSA-N |