| CAS Number | 640736-79-4 |
| Catalog Number | AG00EM0P(AGN-PC-0TB8T5) |
| Chemical Name | PD 0220245 |
| IUPAC Name | N-[6,7-dichloro-3-(5-thiophen-2-ylthiophen-2-yl)quinoxalin-2-yl]-N',N'-diethylbutane-1,4-diamine;dihydrochloride |
| InChI | InChI=1S/C24H26Cl2N4S2.2ClH/c1-3-30(4-2)12-6-5-11-27-24-23(22-10-9-21(32-22)20-8-7-13-31-20)28-18-14-16(25)17(26)15-19(18)29-24;;/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,27,29);2*1H |
| InChI Key | IBVKFSQIGWJQTN-UHFFFAOYSA-N |
| MDL Number | MFCD17392567 |
| Molecular Formula | C24H28Cl4N4S2 |
| Molecular Weight | 578.4479 |
| SMILES | CCN(CC)CCCCNC1=NC2=CC(=C(C=C2N=C1C3=CC=C(S3)C4=CC=CS4)Cl)Cl.Cl.Cl |
| Synonyms | PD 0220245,
640736-79-4,
239094-97-4,
N-(3-[2,20]bithiophenyl-5-yl-6,7-dichloroquinoxalin-2-yl)-N,N-diethyl-butane-1,4-diamine.dihydrochloride,
|
| Complexity | 570 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 578.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 578.436g/mol |
| Monoisotopic Mass | 576.051g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 97.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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