8-ethoxy-2-oxo-2H-1-benzopyran-3-carbothioamide
Chemical Structure Depiction of
8-ethoxy-2-oxo-2H-1-benzopyran-3-carbothioamide
8-ethoxy-2-oxo-2H-1-benzopyran-3-carbothioamide
Compound characteristics
| Compound ID: | C201-0396 |
| Compound Name: | 8-ethoxy-2-oxo-2H-1-benzopyran-3-carbothioamide |
| Molecular Weight: | 249.29 |
| Molecular Formula: | C12 H11 N O3 S |
| Smiles: | CCOc1cccc2C=C(C(=O)Oc12)C(N)=S |
| Stereo: | ACHIRAL |
| logP: | 1.8195 |
| logD: | 1.8195 |
| logSw: | -2.3317 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.508 |
| InChI Key: | UUKCZXPNSUAVQR-UHFFFAOYSA-N |