3-(1,3-benzothiazol-2-yl)-7-[(3,4-dichlorophenyl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-7-[(3,4-dichlorophenyl)methoxy]-2H-1-benzopyran-2-one
3-(1,3-benzothiazol-2-yl)-7-[(3,4-dichlorophenyl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 3570-0500 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-7-[(3,4-dichlorophenyl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 454.33 |
| Molecular Formula: | C23 H13 Cl2 N O3 S |
| Smiles: | C(c1ccc(c(c1)[Cl])[Cl])Oc1ccc2C=C(C(=O)Oc2c1)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.7986 |
| logD: | 6.7986 |
| logSw: | -6.5528 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.837 |
| InChI Key: | AGHCPXJRRUFADU-UHFFFAOYSA-N |