3-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-9664 |
| Compound Name: | 3-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 453.98 |
| Molecular Formula: | C22 H28 Cl N O5 S |
| Smiles: | CC(C)CC(N(CCOC)Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2076 |
| logD: | 4.2076 |
| logSw: | -4.3837 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.276 |
| InChI Key: | RSQODKBWBPPRHN-UHFFFAOYSA-N |