2-(methylsulfanyl)-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
2-(methylsulfanyl)-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
2-(methylsulfanyl)-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0217 |
| Compound Name: | 2-(methylsulfanyl)-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 446.49 |
| Molecular Formula: | C22 H21 F3 N4 O S |
| Smiles: | CSC1C(c2ccccc2)=NC2(CCN(CC2)C(Nc2ccccc2C(F)(F)F)=O)N=1 |
| Stereo: | ACHIRAL |
| logP: | 4.1275 |
| logD: | 4.1275 |
| logSw: | -4.2136 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.932 |
| InChI Key: | XUMHAPWAZRBSQG-UHFFFAOYSA-N |