3-(1,3-benzothiazol-2-yl)-6-bromo-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-6-bromo-8-methoxy-2H-1-benzopyran-2-one
3-(1,3-benzothiazol-2-yl)-6-bromo-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 7238-0253 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-6-bromo-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 388.24 |
| Molecular Formula: | C17 H10 Br N O3 S |
| Smiles: | COc1cc(cc2C=C(C(=O)Oc12)c1nc2ccccc2s1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.7895 |
| logD: | 4.7895 |
| logSw: | -4.8523 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.924 |
| InChI Key: | FTIWRIJCLCFTEJ-UHFFFAOYSA-N |