3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | 3966-4919 |
| Compound Name: | 3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C24 H20 N2 O3 S |
| Smiles: | COc1ccc(/C=C/C(c2ccc(cc2)O)=O)cc1CSc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.6148 |
| logD: | 4.308 |
| logSw: | -4.4191 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.203 |
| InChI Key: | JSUSZTQAHMZNSZ-UHFFFAOYSA-N |