N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K219-1415 |
| Compound Name: | N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 465.48 |
| Molecular Formula: | C23 H19 N3 O6 S |
| Smiles: | CCCCOc1ccc(cc1)c1csc(NC(C2=Cc3cc(ccc3OC2=O)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.8925 |
| logD: | 5.88 |
| logSw: | -5.3677 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.825 |
| InChI Key: | DGOADJFQFYQJMM-UHFFFAOYSA-N |