2-amino-4-(3-methylthiophen-2-yl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3-methylthiophen-2-yl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
2-amino-4-(3-methylthiophen-2-yl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 2045-2274 |
| Compound Name: | 2-amino-4-(3-methylthiophen-2-yl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile |
| Molecular Weight: | 336.37 |
| Molecular Formula: | C18 H12 N2 O3 S |
| Smiles: | Cc1ccsc1C1C(C#N)=C(N)OC2=C1C(=O)Oc1ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7312 |
| logD: | 2.7312 |
| logSw: | -3.3858 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.718 |
| InChI Key: | TUTNOWFTJDHWGA-CYBMUJFWSA-N |