2-amino-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-1149 |
| Compound Name: | 2-amino-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 314.4 |
| Molecular Formula: | C17 H18 N2 O2 S |
| Smiles: | Cc1ccc(C2C(C#N)=C(N)OC3CC(C)(C)CC(C2=3)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7753 |
| logD: | 2.7753 |
| logSw: | -3.1497 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.621 |
| InChI Key: | IKCBGWDWSMMEIU-AWEZNQCLSA-N |