2-(ethylsulfanyl)-N-(4-fluorophenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
2-(ethylsulfanyl)-N-(4-fluorophenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
2-(ethylsulfanyl)-N-(4-fluorophenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0055 |
| Compound Name: | 2-(ethylsulfanyl)-N-(4-fluorophenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 410.51 |
| Molecular Formula: | C22 H23 F N4 O S |
| Smiles: | CCSC1C(c2ccccc2)=NC2(CCN(CC2)C(Nc2ccc(cc2)F)=O)N=1 |
| Stereo: | ACHIRAL |
| logP: | 3.6817 |
| logD: | 3.6817 |
| logSw: | -3.7961 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.63 |
| InChI Key: | KWSQHNRGXPFRDK-UHFFFAOYSA-N |