N-butyl-N~3~-[(2,6-dichlorophenyl)methyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-butyl-N~3~-[(2,6-dichlorophenyl)methyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
N-butyl-N~3~-[(2,6-dichlorophenyl)methyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | K783-2309 |
| Compound Name: | N-butyl-N~3~-[(2,6-dichlorophenyl)methyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 457.42 |
| Molecular Formula: | C21 H26 Cl2 N2 O3 S |
| Smiles: | CCCCNC(CCN(Cc1c(cccc1[Cl])[Cl])S(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1439 |
| logD: | 5.1439 |
| logSw: | -5.4597 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.905 |
| InChI Key: | YAVSEANRLRBUAB-UHFFFAOYSA-N |