3-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
3-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
3-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V027-5134 |
| Compound Name: | 3-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 366.43 |
| Molecular Formula: | C17 H22 N2 O5 S |
| Smiles: | CCNC(N(Cc1cccc(c1)OS(CC)(=O)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2543 |
| logD: | 2.2543 |
| logSw: | -2.8311 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.076 |
| InChI Key: | GALGTCBGGBNDJR-UHFFFAOYSA-N |