2-[1-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)ethylidene]hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-[1-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)ethylidene]hydrazine-1-carbothioamide
2-[1-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)ethylidene]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | 0833-0567 |
| Compound Name: | 2-[1-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)ethylidene]hydrazine-1-carbothioamide |
| Molecular Weight: | 306.3 |
| Molecular Formula: | C12 H10 N4 O4 S |
| Smiles: | C/C(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=N/NC(N)=S |
| Stereo: | ACHIRAL |
| logP: | 1.7462 |
| logD: | 1.7461 |
| logSw: | -2.5486 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.638 |
| InChI Key: | WQCUEUQBFUJXHM-UHFFFAOYSA-N |