2-amino-4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-3764 |
| Compound Name: | 2-amino-4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 469 |
| Molecular Formula: | C25 H25 Cl N2 O3 S |
| Smiles: | Cc1cc(ccc1OCc1cc(C2C(C#N)=C(N)OC3CC(C)(C)CC(C2=3)=O)sc1C)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6406 |
| logD: | 5.6406 |
| logSw: | -5.869 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.935 |
| InChI Key: | UUMMXCYSZVFJNO-QFIPXVFZSA-N |