3-(1,3-benzothiazol-2-yl)-8-[(dimethylamino)methyl]-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-8-[(dimethylamino)methyl]-7-hydroxy-2H-1-benzopyran-2-one
3-(1,3-benzothiazol-2-yl)-8-[(dimethylamino)methyl]-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 4356-0216 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-8-[(dimethylamino)methyl]-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 352.41 |
| Molecular Formula: | C19 H16 N2 O3 S |
| Smiles: | CN(C)Cc1c(ccc2C=C(C(=O)Oc12)c1nc2ccccc2s1)O |
| Stereo: | ACHIRAL |
| logP: | 3.5044 |
| logD: | 3.2013 |
| logSw: | -3.7058 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.729 |
| InChI Key: | PLLCAMNQDAHMSF-UHFFFAOYSA-N |