4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl thiophene-2-carboxylate
4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8011-2013 |
| Compound Name: | 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl thiophene-2-carboxylate |
| Molecular Weight: | 450.51 |
| Molecular Formula: | C24 H22 N2 O5 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(c(c2)OC)OC(c2cccs2)=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4305 |
| logD: | 3.4305 |
| logSw: | -3.9077 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.715 |
| InChI Key: | ITKGLDNYQFBSMU-HXUWFJFHSA-N |