5,5-dimethyl-2-{[2-(phenylsulfanyl)anilino]methylidene}cyclohexane-1,3-dione
Chemical Structure Depiction of
5,5-dimethyl-2-{[2-(phenylsulfanyl)anilino]methylidene}cyclohexane-1,3-dione
5,5-dimethyl-2-{[2-(phenylsulfanyl)anilino]methylidene}cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 4038-0200 |
| Compound Name: | 5,5-dimethyl-2-{[2-(phenylsulfanyl)anilino]methylidene}cyclohexane-1,3-dione |
| Molecular Weight: | 351.47 |
| Molecular Formula: | C21 H21 N O2 S |
| Smiles: | CC1(C)CC(C(=CNc2ccccc2Sc2ccccc2)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3822 |
| logD: | 4.3816 |
| logSw: | -4.3715 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.286 |
| InChI Key: | JWMFIRLWRGAKPF-UHFFFAOYSA-N |