2-amino-9-bromo-5-oxo-4-phenyl-4a,10b-dihydro-4H,5H-thiopyrano[3,4-c][1]benzopyran-1-carbonitrile
Chemical Structure Depiction of
2-amino-9-bromo-5-oxo-4-phenyl-4a,10b-dihydro-4H,5H-thiopyrano[3,4-c][1]benzopyran-1-carbonitrile
2-amino-9-bromo-5-oxo-4-phenyl-4a,10b-dihydro-4H,5H-thiopyrano[3,4-c][1]benzopyran-1-carbonitrile
Compound characteristics
| Compound ID: | 8014-9135 |
| Compound Name: | 2-amino-9-bromo-5-oxo-4-phenyl-4a,10b-dihydro-4H,5H-thiopyrano[3,4-c][1]benzopyran-1-carbonitrile |
| Molecular Weight: | 413.29 |
| Molecular Formula: | C19 H13 Br N2 O2 S |
| Smiles: | C(C1C2C(C(c3ccccc3)SC=1N)C(=O)Oc1ccc(cc12)[Br])#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8499 |
| logD: | 3.8499 |
| logSw: | -4.4013 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.941 |
| InChI Key: | NWTODZYPKBLJMT-UHFFFAOYSA-N |