3-(1,3-benzothiazol-2-yl)-6-chloro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-6-chloro-2H-1-benzopyran-2-one
3-(1,3-benzothiazol-2-yl)-6-chloro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 7238-0250 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-6-chloro-2H-1-benzopyran-2-one |
| Molecular Weight: | 313.76 |
| Molecular Formula: | C16 H8 Cl N O2 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Cl])c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5067 |
| logD: | 4.5067 |
| logSw: | -4.8741 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.609 |
| InChI Key: | JNINPWQDPPMJQA-UHFFFAOYSA-N |