N~3~-[(2,6-dichlorophenyl)methyl]-N-(2,2-diethoxyethyl)-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-[(2,6-dichlorophenyl)methyl]-N-(2,2-diethoxyethyl)-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
N~3~-[(2,6-dichlorophenyl)methyl]-N-(2,2-diethoxyethyl)-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | K783-2258 |
| Compound Name: | N~3~-[(2,6-dichlorophenyl)methyl]-N-(2,2-diethoxyethyl)-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 517.47 |
| Molecular Formula: | C23 H30 Cl2 N2 O5 S |
| Smiles: | CCOC(CNC(CCN(Cc1c(cccc1[Cl])[Cl])S(c1ccc(C)cc1)(=O)=O)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.2626 |
| logD: | 4.2626 |
| logSw: | -4.3703 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.718 |
| InChI Key: | OUSBAJZOSJEKAC-UHFFFAOYSA-N |