N~3~-[(2,6-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-[(2,6-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
N~3~-[(2,6-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | K783-2282 |
| Compound Name: | N~3~-[(2,6-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 489.42 |
| Molecular Formula: | C21 H26 Cl2 N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(N(CCC(NCC(OC)OC)=O)Cc1c(cccc1[Cl])[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4438 |
| logD: | 3.4438 |
| logSw: | -3.6809 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.558 |
| InChI Key: | PKXXUIRNMNSKNW-UHFFFAOYSA-N |