3-(1,3-benzothiazol-2-yl)-7-[(4-nitrophenyl)methoxy]-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-7-[(4-nitrophenyl)methoxy]-4H-1-benzopyran-4-one
3-(1,3-benzothiazol-2-yl)-7-[(4-nitrophenyl)methoxy]-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 4356-0367 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-7-[(4-nitrophenyl)methoxy]-4H-1-benzopyran-4-one |
| Molecular Weight: | 430.44 |
| Molecular Formula: | C23 H14 N2 O5 S |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)Oc1ccc2C(C(=COc2c1)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0295 |
| logD: | 5.0295 |
| logSw: | -5.1555 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.19 |
| InChI Key: | QYEALDUTRJFCEU-UHFFFAOYSA-N |