6-bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carbothioamide
Chemical Structure Depiction of
6-bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carbothioamide
6-bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carbothioamide
Compound characteristics
| Compound ID: | C201-0394 |
| Compound Name: | 6-bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carbothioamide |
| Molecular Weight: | 314.15 |
| Molecular Formula: | C11 H8 Br N O3 S |
| Smiles: | COc1cc(cc2C=C(C(=O)Oc12)C(N)=S)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.2479 |
| logD: | 2.2479 |
| logSw: | -2.5115 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.928 |
| InChI Key: | WHCSGWBCXIXMIB-UHFFFAOYSA-N |