3-(2-anilino-1,3-thiazol-4-yl)-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(2-anilino-1,3-thiazol-4-yl)-6-nitro-2H-1-benzopyran-2-one
3-(2-anilino-1,3-thiazol-4-yl)-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1711-1193 |
| Compound Name: | 3-(2-anilino-1,3-thiazol-4-yl)-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 365.37 |
| Molecular Formula: | C18 H11 N3 O4 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)c1csc(Nc2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4957 |
| logD: | 4.4957 |
| logSw: | -4.6361 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.229 |
| InChI Key: | RHEDGOOZFWLFQK-UHFFFAOYSA-N |