methyl 2-amino-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 5948-0706 |
| Compound Name: | methyl 2-amino-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 373.47 |
| Molecular Formula: | C20 H23 N O4 S |
| Smiles: | CC1(C)CC2=C(C(C(=C(N)O2)C(=O)OC)c2ccc(cc2)SC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.17 |
| logD: | 3.17 |
| logSw: | -3.4197 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.72 |
| InChI Key: | NKWNCSSLOCZENM-OAHLLOKOSA-N |