2-[(2,5-dimethylphenyl)imino]-6-nitro-N-(1,3-thiazol-2-yl)-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
2-[(2,5-dimethylphenyl)imino]-6-nitro-N-(1,3-thiazol-2-yl)-2H-1-benzopyran-3-carboxamide
2-[(2,5-dimethylphenyl)imino]-6-nitro-N-(1,3-thiazol-2-yl)-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K218-1459 |
| Compound Name: | 2-[(2,5-dimethylphenyl)imino]-6-nitro-N-(1,3-thiazol-2-yl)-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 420.45 |
| Molecular Formula: | C21 H16 N4 O4 S |
| Smiles: | Cc1ccc(C)c(c1)/N=C1/C(=Cc2cc(ccc2O1)[N+]([O-])=O)C(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6499 |
| logD: | 4.6256 |
| logSw: | -4.6224 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.198 |
| InChI Key: | LIYLBIOJMNPGBI-UHFFFAOYSA-N |