6-chloro-3-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
6-chloro-3-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K234-0015 |
| Compound Name: | 6-chloro-3-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 384.8 |
| Molecular Formula: | C18 H9 Cl N2 O4 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Cl])c1csc(c2cccc(c2)[N+]([O-])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0722 |
| logD: | 5.0722 |
| logSw: | -5.4691 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.004 |
| InChI Key: | IERIRTKRZKBWHJ-UHFFFAOYSA-N |