2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-7,8-dimethyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-7,8-dimethyl-4H-1-benzopyran-4-one
2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-7,8-dimethyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | D652-0106 |
| Compound Name: | 2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-7,8-dimethyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C24 H22 N2 O3 S |
| Smiles: | Cc1ccc2C(C=C(C(N3CCC(CC3)c3nc4ccccc4s3)=O)Oc2c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2298 |
| logD: | 5.2298 |
| logSw: | -5.0936 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.838 |
| InChI Key: | SQLBMDAJCWAOIR-UHFFFAOYSA-N |