2-(benzylsulfanyl)-N-(4-fluorophenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-(4-fluorophenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
2-(benzylsulfanyl)-N-(4-fluorophenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0067 |
| Compound Name: | 2-(benzylsulfanyl)-N-(4-fluorophenyl)-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 472.58 |
| Molecular Formula: | C27 H25 F N4 O S |
| Smiles: | C1CN(CCC12N=C(C(=N2)SCc1ccccc1)c1ccccc1)C(Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4451 |
| logD: | 4.4451 |
| logSw: | -4.2602 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.358 |
| InChI Key: | VOYVBYCTGBGTBK-UHFFFAOYSA-N |