3-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-6-nitro-2H-1-benzopyran-2-one
3-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K232-0652 |
| Compound Name: | 3-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 399.81 |
| Molecular Formula: | C18 H10 Cl N3 O4 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)c1csc(Nc2ccccc2[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9976 |
| logD: | 4.9976 |
| logSw: | -5.3115 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.531 |
| InChI Key: | ATERFZWBUGHBKY-UHFFFAOYSA-N |