3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y500-9561 |
| Compound Name: | 3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C24 H19 N O3 S2 |
| Smiles: | COc1ccc(/C=C/C(c2ccccc2O)=O)cc1CSc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.8819 |
| logD: | 6.8475 |
| logSw: | -5.4035 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.202 |
| InChI Key: | LRTHJUUMRZOLAX-UHFFFAOYSA-N |