Cap-1
1-(3-chloro-4-methylphenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]urea
Also Known As: CAP-1|1-(3-Chloro-4-Methylphenyl)-3-{2-[({5-[(Dimethylamino)methyl]-2-Furyl}methyl)thio]ethyl}urea|Urea, N-(3-chloro-4-methylphenyl)-N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-|1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}urea|1-(3-chloro-4-methylphenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]urea|1-(3-chloro-4-methylphenyl)-3-(2-(((5-((dimethylamino)methyl)furan-2-yl)methyl)sulfanyl)ethyl)urea|1-(3-chloro-4-methylphenyl)-3-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]urea|3-(3-chloro-4-methyl-phenyl)-1-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]urea|JPR
| Molecular Formula | C18H24ClN3O2S |
|---|---|
| Molecular Weight | 381.12778 g/mol |
| LogP | 4.35792 |
| Topological Polar Surface Area | 57.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 381.12778 |
| Monoisotopic Mass | 381.12778 |
| Heavy Atoms | 25 |
| Complexity | 703.37964 |
Chemical Identifiers
| CAS Number | 564475-13-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NCCSCC2=CC=C(O2)CN(C)C)Cl |
Product Overview
Cap-1 (CAS 564475-13-4), with molecular formula C18H24ClN3O2S and molecular weight 381.12778 g/mol. IUPAC: 1-(3-chloro-4-methylphenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]urea.
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