6-bromo-N-[2-(4-butoxybenzoyl)hydrazinecarbothioyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
6-bromo-N-[2-(4-butoxybenzoyl)hydrazinecarbothioyl]-2-oxo-2H-1-benzopyran-3-carboxamide
6-bromo-N-[2-(4-butoxybenzoyl)hydrazinecarbothioyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8009-5399 |
| Compound Name: | 6-bromo-N-[2-(4-butoxybenzoyl)hydrazinecarbothioyl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 518.38 |
| Molecular Formula: | C22 H20 Br N3 O5 S |
| Smiles: | CCCCOc1ccc(cc1)C(NNC(NC(C1=Cc2cc(ccc2OC1=O)[Br])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3791 |
| logD: | 2.6076 |
| logSw: | -4.3342 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.684 |
| InChI Key: | SLCNHQQOUOXEEM-UHFFFAOYSA-N |