2-amino-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzothiopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzothiopyran-3-carbonitrile
2-amino-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzothiopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-0324 |
| Compound Name: | 2-amino-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzothiopyran-3-carbonitrile |
| Molecular Weight: | 330.47 |
| Molecular Formula: | C17 H18 N2 O S2 |
| Smiles: | Cc1ccsc1C1C(C#N)=C(N)SC2CC(C)(C)CC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5026 |
| logD: | 3.5026 |
| logSw: | -3.6959 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.477 |
| InChI Key: | QPQOQJCHCVXYET-ZDUSSCGKSA-N |