N-(5-ethoxy-1,3-benzothiazol-2-yl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(5-ethoxy-1,3-benzothiazol-2-yl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
N-(5-ethoxy-1,3-benzothiazol-2-yl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K219-1383 |
| Compound Name: | N-(5-ethoxy-1,3-benzothiazol-2-yl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 411.39 |
| Molecular Formula: | C19 H13 N3 O6 S |
| Smiles: | CCOc1ccc2c(c1)nc(NC(C1=Cc3cc(ccc3OC1=O)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.0879 |
| logD: | 4.0716 |
| logSw: | -4.3539 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.518 |
| InChI Key: | VJOINQQLRMJTMQ-UHFFFAOYSA-N |