3-(6-bromo-2-oxo-2H-1-benzopyran-3-sulfonyl)benzonitrile
Chemical Structure Depiction of
3-(6-bromo-2-oxo-2H-1-benzopyran-3-sulfonyl)benzonitrile
3-(6-bromo-2-oxo-2H-1-benzopyran-3-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | C200-7214 |
| Compound Name: | 3-(6-bromo-2-oxo-2H-1-benzopyran-3-sulfonyl)benzonitrile |
| Molecular Weight: | 390.21 |
| Molecular Formula: | C16 H8 Br N O4 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Br])S(c1cccc(C#N)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0225 |
| logD: | 3.0225 |
| logSw: | -3.5315 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.717 |
| InChI Key: | RKTOESWWKGWURF-UHFFFAOYSA-N |