(3-methylcyclohexylidene)[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetonitrile
Chemical Structure Depiction of
(3-methylcyclohexylidene)[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetonitrile
(3-methylcyclohexylidene)[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetonitrile
Compound characteristics
| Compound ID: | 8011-4697 |
| Compound Name: | (3-methylcyclohexylidene)[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetonitrile |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C21 H18 N2 O2 S |
| Smiles: | CC1CCC/C(C1)=C(/C#N)c1nc(cs1)C1=Cc2ccccc2OC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.203 |
| logD: | 5.203 |
| logSw: | -5.164 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.871 |
| InChI Key: | LIDOIILJKUMCQF-ZDUSSCGKSA-N |