2-amino-4-(5-bromo-2-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-bromo-2-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
2-amino-4-(5-bromo-2-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8003-3682 |
| Compound Name: | 2-amino-4-(5-bromo-2-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile |
| Molecular Weight: | 425.24 |
| Molecular Formula: | C20 H13 Br N2 O4 |
| Smiles: | COc1ccc(cc1C1C(C#N)=C(N)OC2=C1C(=O)Oc1ccccc12)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5406 |
| logD: | 3.5406 |
| logSw: | -3.8703 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.33 |
| InChI Key: | WMXJALSJFUTNCM-MRXNPFEDSA-N |