2-[(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1(2H)-one
Chemical Structure Depiction of
2-[(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1(2H)-one
2-[(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1(2H)-one
Compound characteristics
| Compound ID: | 4333-5814 |
| Compound Name: | 2-[(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1(2H)-one |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C26 H21 N O2 S2 |
| Smiles: | COc1ccc(\C=C2/CCc3ccccc3C2=O)cc1CSc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 7.0212 |
| logD: | 7.0212 |
| logSw: | -5.7809 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.4742 |
| InChI Key: | ICKQDWXVBXZGBR-UHFFFAOYSA-N |