N-(4-fluorophenyl)-2-(methylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-(methylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
N-(4-fluorophenyl)-2-(methylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0049 |
| Compound Name: | N-(4-fluorophenyl)-2-(methylsulfanyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C21 H21 F N4 O S |
| Smiles: | CSC1C(c2ccccc2)=NC2(CCN(CC2)C(Nc2ccc(cc2)F)=O)N=1 |
| Stereo: | ACHIRAL |
| logP: | 3.245 |
| logD: | 3.2449 |
| logSw: | -3.5196 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.63 |
| InChI Key: | WQPNIXRIWFCDFE-UHFFFAOYSA-N |