2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-6-bromo-4H-1-benzopyran-4-one
Chemical Structure Depiction of
2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-6-bromo-4H-1-benzopyran-4-one
2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-6-bromo-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | D652-0103 |
| Compound Name: | 2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-6-bromo-4H-1-benzopyran-4-one |
| Molecular Weight: | 469.36 |
| Molecular Formula: | C22 H17 Br N2 O3 S |
| Smiles: | C1CN(CCC1c1nc2ccccc2s1)C(C1=CC(c2cc(ccc2O1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1221 |
| logD: | 5.1221 |
| logSw: | -5.3078 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.154 |
| InChI Key: | MTBCSYQRNIQYOF-UHFFFAOYSA-N |