2-amino-4-(2-bromo-5-methoxyphenyl)-5-oxo-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2-bromo-5-methoxyphenyl)-5-oxo-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile
2-amino-4-(2-bromo-5-methoxyphenyl)-5-oxo-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-5521 |
| Compound Name: | 2-amino-4-(2-bromo-5-methoxyphenyl)-5-oxo-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile |
| Molecular Weight: | 441.3 |
| Molecular Formula: | C20 H13 Br N2 O3 S |
| Smiles: | COc1ccc(c(c1)C1C(C#N)=C(N)OC2=C1C(=O)Sc1ccccc12)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0904 |
| logD: | 4.0904 |
| logSw: | -4.5653 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.315 |
| InChI Key: | KBDKZSRVAICMPG-MRXNPFEDSA-N |