2-amino-4-(4-bromophenyl)-5-oxo-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-bromophenyl)-5-oxo-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile
2-amino-4-(4-bromophenyl)-5-oxo-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-8299 |
| Compound Name: | 2-amino-4-(4-bromophenyl)-5-oxo-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile |
| Molecular Weight: | 411.27 |
| Molecular Formula: | C19 H11 Br N2 O2 S |
| Smiles: | C(C1C(C2=C(c3ccccc3SC2=O)OC=1N)c1ccc(cc1)[Br])#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9703 |
| logD: | 3.9703 |
| logSw: | -4.5769 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.771 |
| InChI Key: | CJBFYLGDPHKUFX-OAHLLOKOSA-N |