N-[5-ethyl-4-(thiophen-2-yl)-1,3-thiazol-2-yl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[5-ethyl-4-(thiophen-2-yl)-1,3-thiazol-2-yl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
N-[5-ethyl-4-(thiophen-2-yl)-1,3-thiazol-2-yl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K219-1431 |
| Compound Name: | N-[5-ethyl-4-(thiophen-2-yl)-1,3-thiazol-2-yl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C19 H13 N3 O5 S2 |
| Smiles: | CCc1c(c2cccs2)nc(NC(C2=Cc3cc(ccc3OC2=O)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.782 |
| logD: | 4.5972 |
| logSw: | -4.714 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.197 |
| InChI Key: | MKBXFVFIAYXPFF-UHFFFAOYSA-N |