2-[1-(6-hexyl-7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)ethylidene]hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-[1-(6-hexyl-7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)ethylidene]hydrazine-1-carbothioamide
2-[1-(6-hexyl-7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)ethylidene]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | 0236-0016 |
| Compound Name: | 2-[1-(6-hexyl-7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)ethylidene]hydrazine-1-carbothioamide |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C18 H23 N3 O3 S |
| Smiles: | CCCCCCc1cc2C=C(C(\C)=N/NC(N)=S)C(=O)Oc2cc1O |
| Stereo: | ACHIRAL |
| logP: | 4.0831 |
| logD: | 4.0694 |
| logSw: | -3.9107 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 78.804 |
| InChI Key: | QPRFOIUWODUGJJ-UHFFFAOYSA-N |