2-amino-4,4-dimethyl-4a,10b-dihydro-4H,5H-thiopyrano[3,4-c][1]benzopyran-1-carbonitrile
Chemical Structure Depiction of
2-amino-4,4-dimethyl-4a,10b-dihydro-4H,5H-thiopyrano[3,4-c][1]benzopyran-1-carbonitrile
2-amino-4,4-dimethyl-4a,10b-dihydro-4H,5H-thiopyrano[3,4-c][1]benzopyran-1-carbonitrile
Compound characteristics
| Compound ID: | 8016-0965 |
| Compound Name: | 2-amino-4,4-dimethyl-4a,10b-dihydro-4H,5H-thiopyrano[3,4-c][1]benzopyran-1-carbonitrile |
| Molecular Weight: | 272.37 |
| Molecular Formula: | C15 H16 N2 O S |
| Smiles: | CC1(C)C2COc3ccccc3C2C(C#N)=C(N)S1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3786 |
| logD: | 3.3758 |
| logSw: | -3.6589 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.66 |
| InChI Key: | ATNHWYMDPHHPMO-UHFFFAOYSA-N |