2-(4-methoxyphenyl)-3-(methylsulfanyl)-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
2-(4-methoxyphenyl)-3-(methylsulfanyl)-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
2-(4-methoxyphenyl)-3-(methylsulfanyl)-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0221 |
| Compound Name: | 2-(4-methoxyphenyl)-3-(methylsulfanyl)-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 476.52 |
| Molecular Formula: | C23 H23 F3 N4 O2 S |
| Smiles: | COc1ccc(cc1)C1C(=NC2(CCN(CC2)C(Nc2ccccc2C(F)(F)F)=O)N=1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.215 |
| logD: | 4.215 |
| logSw: | -4.1897 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.475 |
| InChI Key: | HEPMDGIVVAHOML-UHFFFAOYSA-N |