3-{[ethyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[ethyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[ethyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4129 |
| Compound Name: | 3-{[ethyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 440.94 |
| Molecular Formula: | C20 H25 Cl N2 O5 S |
| Smiles: | CCNC(N(CCOC)Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1667 |
| logD: | 3.1667 |
| logSw: | -3.5101 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.572 |
| InChI Key: | LNIUMZMFJYYCPV-UHFFFAOYSA-N |