6-chloro-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one
6-chloro-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K277-0021 |
| Compound Name: | 6-chloro-3-[4-(4-nitrophenyl)-1,3-thiazol-2-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])c1nc(cs1)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3222 |
| logD: | 5.3222 |
| logSw: | -6.0707 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.004 |
| InChI Key: | DCKXATYLTIZDBB-UHFFFAOYSA-N |