2-(4-tert-butylphenyl)-N-(4-fluorophenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
2-(4-tert-butylphenyl)-N-(4-fluorophenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
2-(4-tert-butylphenyl)-N-(4-fluorophenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0054 |
| Compound Name: | 2-(4-tert-butylphenyl)-N-(4-fluorophenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 452.59 |
| Molecular Formula: | C25 H29 F N4 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1C(=NC2(CCN(CC2)C(Nc2ccc(cc2)F)=O)N=1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.1445 |
| logD: | 5.1445 |
| logSw: | -4.9731 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.63 |
| InChI Key: | JMSJQTHEGDIBBR-UHFFFAOYSA-N |