3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-hydroxy-2H-1-benzopyran-2-one
3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K277-0039 |
| Compound Name: | 3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 390.24 |
| Molecular Formula: | C18 H9 Cl2 N O3 S |
| Smiles: | C1=C(C(=O)Oc2cc(ccc12)O)c1nc(cs1)c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5136 |
| logD: | 5.4408 |
| logSw: | -5.6698 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.239 |
| InChI Key: | PINQBJNKBMQTMS-UHFFFAOYSA-N |