6-bromo-N-[2-(3-nitrobenzoyl)hydrazinecarbothioyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
6-bromo-N-[2-(3-nitrobenzoyl)hydrazinecarbothioyl]-2-oxo-2H-1-benzopyran-3-carboxamide
6-bromo-N-[2-(3-nitrobenzoyl)hydrazinecarbothioyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8009-5405 |
| Compound Name: | 6-bromo-N-[2-(3-nitrobenzoyl)hydrazinecarbothioyl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 491.27 |
| Molecular Formula: | C18 H11 Br N4 O6 S |
| Smiles: | C1=C(C(NC(NNC(c2cccc(c2)[N+]([O-])=O)=O)=S)=O)C(=O)Oc2ccc(cc12)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.8927 |
| logD: | -0.3138 |
| logSw: | -3.6361 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.648 |
| InChI Key: | ZUDRIYNSOCUREE-UHFFFAOYSA-N |