3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2H-1-benzopyran-2-one
3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D652-0089 |
| Compound Name: | 3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C22 H18 N2 O3 S |
| Smiles: | C1CN(CCC1c1nc2ccccc2s1)C(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8946 |
| logD: | 3.8946 |
| logSw: | -4.2118 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.257 |
| InChI Key: | GKYNQKROZBSIHY-UHFFFAOYSA-N |