4-chloro-2-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-chloro-2-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
4-chloro-2-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V001-7652 |
| Compound Name: | 4-chloro-2-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 400.88 |
| Molecular Formula: | C17 H21 Cl N2 O5 S |
| Smiles: | CCNC(N(Cc1cc(ccc1OS(CC)(=O)=O)[Cl])Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.099 |
| logD: | 3.099 |
| logSw: | -3.61 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.162 |
| InChI Key: | VQLBKHVNOYPNNR-UHFFFAOYSA-N |