5-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
5-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
Compound characteristics
Compound ID: | V027-2092 |
Compound Name: | 5-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate |
Molecular Weight: | 396.46 |
Molecular Formula: | C18 H24 N2 O6 S |
Smiles: | CCNC(N(Cc1ccc(c(c1)OS(CC)(=O)=O)OC)Cc1ccco1)=O |
Stereo: | ACHIRAL |
logP: | 2.0336 |
logD: | 2.0336 |
logSw: | -2.8323 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.793 |
InChI Key: | WJZYKYDYHMQJQS-UHFFFAOYSA-N |