2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-6,8-dimethyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-6,8-dimethyl-4H-1-benzopyran-4-one
2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-6,8-dimethyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | D652-0107 |
| Compound Name: | 2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-6,8-dimethyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C24 H22 N2 O3 S |
| Smiles: | Cc1cc(C)c2c(c1)C(C=C(C(N1CCC(CC1)c1nc3ccccc3s1)=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1358 |
| logD: | 5.1358 |
| logSw: | -4.9277 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.838 |
| InChI Key: | QGHSOCSUFUEVGS-UHFFFAOYSA-N |