methyl 3-{[2-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenoxy]sulfonyl}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenoxy]sulfonyl}thiophene-2-carboxylate
methyl 3-{[2-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenoxy]sulfonyl}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | V026-4362 |
| Compound Name: | methyl 3-{[2-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenoxy]sulfonyl}thiophene-2-carboxylate |
| Molecular Weight: | 478.54 |
| Molecular Formula: | C21 H22 N2 O7 S2 |
| Smiles: | CCNC(N(Cc1ccccc1OS(c1ccsc1C(=O)OC)(=O)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3161 |
| logD: | 3.3161 |
| logSw: | -3.577 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.007 |
| InChI Key: | XWZSBUDWWXPZMI-UHFFFAOYSA-N |