2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,1'-cyclohexane]-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,1'-cyclohexane]-3-carbonitrile
2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,1'-cyclohexane]-3-carbonitrile
Compound characteristics
| Compound ID: | 0821-0408 |
| Compound Name: | 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,1'-cyclohexane]-3-carbonitrile |
| Molecular Weight: | 286.37 |
| Molecular Formula: | C17 H22 N2 O2 |
| Smiles: | CC1(C)CC2=C(C(C1)=O)C1(CCCCC1)C(C#N)=C(N)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.3649 |
| logD: | 2.3649 |
| logSw: | -2.1968 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.794 |
| InChI Key: | WUJPBERUSRKLCV-UHFFFAOYSA-N |