4-[(1H-benzimidazol-2-yl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one
Chemical Structure Depiction of
4-[(1H-benzimidazol-2-yl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one
4-[(1H-benzimidazol-2-yl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one
Compound characteristics
| Compound ID: | 8016-2110 |
| Compound Name: | 4-[(1H-benzimidazol-2-yl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C19 H18 N2 O3 S |
| Smiles: | C(CC(c1ccc2c(c1)OCCO2)=O)CSc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.8985 |
| logD: | 2.8966 |
| logSw: | -3.5884 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.05 |
| InChI Key: | KHGQROBXIPLOHN-UHFFFAOYSA-N |