2-amino-8,10-dimethyl-4-[4-(methylsulfanyl)phenyl]-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-8,10-dimethyl-4-[4-(methylsulfanyl)phenyl]-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile
2-amino-8,10-dimethyl-4-[4-(methylsulfanyl)phenyl]-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 6557-0163 |
| Compound Name: | 2-amino-8,10-dimethyl-4-[4-(methylsulfanyl)phenyl]-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C22 H18 N2 O3 S |
| Smiles: | Cc1c2C3=C(C=CC(c2c(C)o1)=O)C(C(C#N)=C(N)O3)c1ccc(cc1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4974 |
| logD: | 3.4974 |
| logSw: | -4.0344 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.257 |
| InChI Key: | USSZMXRIRGKQLU-FQEVSTJZSA-N |