2-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
2-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0225 |
| Compound Name: | 2-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 488.57 |
| Molecular Formula: | C25 H27 F3 N4 O S |
| Smiles: | CCSC1C(c2ccc(C)c(C)c2)=NC2(CCN(CC2)C(Nc2ccccc2C(F)(F)F)=O)N=1 |
| Stereo: | ACHIRAL |
| logP: | 5.8022 |
| logD: | 5.8022 |
| logSw: | -5.3697 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.932 |
| InChI Key: | MXBCIWRDTWOYOI-UHFFFAOYSA-N |