1-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one
1-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one
Compound characteristics
Compound ID: | 3448-3007 |
Compound Name: | 1-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one |
Molecular Weight: | 329.44 |
Molecular Formula: | C17 H15 N O2 S2 |
Smiles: | CC(c1ccc(c(CSc2nc3ccccc3s2)c1)OC)=O |
Stereo: | ACHIRAL |
logP: | 4.4817 |
logD: | 4.4817 |
logSw: | -4.4599 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 30.5055 |
InChI Key: | OBBVALGISJQYJR-UHFFFAOYSA-N |