ethyl 4-{4-[(3-methylphenyl)imino]-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-1-yl}benzoate--hydrogen iodide (1/1)
Chemical Structure Depiction of
ethyl 4-{4-[(3-methylphenyl)imino]-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-1-yl}benzoate--hydrogen iodide (1/1)
ethyl 4-{4-[(3-methylphenyl)imino]-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-1-yl}benzoate--hydrogen iodide (1/1)
Compound characteristics
| Compound ID: | 8007-2817 |
| Compound Name: | ethyl 4-{4-[(3-methylphenyl)imino]-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-1-yl}benzoate--hydrogen iodide (1/1) |
| Molecular Weight: | 563.5 |
| Molecular Formula: | C25 H29 N3 O2 S |
| Salt: | HI |
| Smiles: | CCOC(c1ccc(cc1)N1C(=NC(\C12CCCCC2)=N/c1cccc(C)c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4731 |
| logD: | 6.4731 |
| logSw: | -5.4657 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.013 |
| InChI Key: | JCJOSZXCNPTOFQ-RWEWTDSWSA-N |