N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | G786-1130 |
| Compound Name: | N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 399.4 |
| Molecular Formula: | C17 H9 N3 O5 S2 |
| Smiles: | C1=C(C(Nc2nc(cs2)c2cc(cs2)[N+]([O-])=O)=O)C(=O)Oc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.0561 |
| logD: | 4.0363 |
| logSw: | -4.4798 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.426 |
| InChI Key: | PHBCVOOJYCSPKZ-UHFFFAOYSA-N |