3-{8-tert-butyl-4-[(4-methylphenyl)imino]-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-1-yl}phenol--hydrogen iodide (1/1)
Chemical Structure Depiction of
3-{8-tert-butyl-4-[(4-methylphenyl)imino]-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-1-yl}phenol--hydrogen iodide (1/1)
3-{8-tert-butyl-4-[(4-methylphenyl)imino]-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-1-yl}phenol--hydrogen iodide (1/1)
Compound characteristics
| Compound ID: | 0954-1166 |
| Compound Name: | 3-{8-tert-butyl-4-[(4-methylphenyl)imino]-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-1-yl}phenol--hydrogen iodide (1/1) |
| Molecular Weight: | 563.54 |
| Molecular Formula: | C26 H33 N3 O S |
| Salt: | HI |
| Smiles: | Cc1ccc(cc1)/N=C1/C2(CCC(CC2)C(C)(C)C)N(C(=N1)SC)c1cccc(c1)O |
| Stereo: | ACHIRAL |
| logP: | 7.0729 |
| logD: | 7.0726 |
| logSw: | -5.5919 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.876 |
| InChI Key: | FBVWSLBUDIOEED-VYIQYICTSA-N |