4-chloro-2-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-chloro-2-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl ethanesulfonate
4-chloro-2-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-2737 |
| Compound Name: | 4-chloro-2-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 391.91 |
| Molecular Formula: | C17 H26 Cl N O5 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(cc1CN(CCOC)C(CC(C)C)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1346 |
| logD: | 3.1346 |
| logSw: | -3.4745 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.71 |
| InChI Key: | GEXQVNKSAKZSAQ-UHFFFAOYSA-N |