3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | 5701-0714 |
| Compound Name: | 3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 447.57 |
| Molecular Formula: | C25 H21 N O3 S2 |
| Smiles: | COc1ccc(cc1)C(/C=C/c1ccc(c(CSc2nc3ccccc3s2)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5627 |
| logD: | 6.5627 |
| logSw: | -5.7236 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.198 |
| InChI Key: | NWADAAJTZZPBKO-UHFFFAOYSA-N |