5-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-8469 |
| Compound Name: | 5-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 513.4 |
| Molecular Formula: | C22 H22 Cl2 N2 O6 S |
| Smiles: | CCNC(N(Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.389 |
| logD: | 4.389 |
| logSw: | -4.5404 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.446 |
| InChI Key: | JDWSTVFJWUDRQO-UHFFFAOYSA-N |