2-amino-5-oxo-7-phenyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-5-oxo-7-phenyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-5-oxo-7-phenyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-8572 |
| Compound Name: | 2-amino-5-oxo-7-phenyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C20 H16 N2 O2 S |
| Smiles: | C1C(CC(C2C(C(C#N)=C(N)OC1=2)c1ccsc1)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3464 |
| logD: | 3.3464 |
| logSw: | -3.6038 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.349 |
| InChI Key: | KAXDTTXSQKCYPO-UHFFFAOYSA-N |