2-amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)-5,7-dioxo-4,4a,5,6,7,7a-hexahydrothiopyrano[2,3-c]pyrrole-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)-5,7-dioxo-4,4a,5,6,7,7a-hexahydrothiopyrano[2,3-c]pyrrole-3-carbonitrile
2-amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)-5,7-dioxo-4,4a,5,6,7,7a-hexahydrothiopyrano[2,3-c]pyrrole-3-carbonitrile
Compound characteristics
| Compound ID: | 8014-7753 |
| Compound Name: | 2-amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)-5,7-dioxo-4,4a,5,6,7,7a-hexahydrothiopyrano[2,3-c]pyrrole-3-carbonitrile |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C22 H19 N3 O3 S |
| Smiles: | Cc1ccc(cc1)N1C(C2C(C(C#N)=C(N)SC2C1=O)c1ccc(cc1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4401 |
| logD: | 2.4401 |
| logSw: | -2.6814 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.476 |
| InChI Key: | DGIJRUBUKCMFBX-UHFFFAOYSA-N |