4-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
4-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-6674 |
| Compound Name: | 4-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 468.01 |
| Molecular Formula: | C23 H30 Cl N O5 S |
| Smiles: | Cc1cccc(c1S(=O)(=O)Oc1ccc(CN(CCOC)C(CC(C)(C)C)=O)cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6813 |
| logD: | 4.6813 |
| logSw: | -4.6723 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.276 |
| InChI Key: | GCOPYGZBYBNEBN-UHFFFAOYSA-N |