3-{[N-(2-methoxyethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(2-methoxyethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[N-(2-methoxyethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4058 |
| Compound Name: | 3-{[N-(2-methoxyethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 519.02 |
| Molecular Formula: | C25 H27 Cl N2 O6 S |
| Smiles: | Cc1cccc(c1S(=O)(=O)Oc1cccc(CN(CCOC)C(Nc2ccccc2OC)=O)c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6893 |
| logD: | 4.6893 |
| logSw: | -4.8635 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.285 |
| InChI Key: | BNXYDMIZKHWENJ-UHFFFAOYSA-N |