2-(2,4-dimethylanilino)-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
2-(2,4-dimethylanilino)-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate
2-(2,4-dimethylanilino)-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D425-0392 |
| Compound Name: | 2-(2,4-dimethylanilino)-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C26 H25 N3 O3 S |
| Smiles: | Cc1ccc(c(C)c1)NC(COC(CSc1nc2ccccc2n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6098 |
| logD: | 5.5832 |
| logSw: | -5.3094 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.463 |
| InChI Key: | DVBYOAWMVYPFDO-UHFFFAOYSA-N |