| CAS Number | 2088939-99-3 |
| Catalog Number | AG01EOPN(AGN-PC-3H46H2) |
| Chemical Name | LYN-1604 |
| IUPAC Name | 2-[bis(2-methylpropyl)amino]-1-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]ethanone |
| InChI | InChI=1S/C33H43Cl2N3O2/c1-24(2)19-37(20-25(3)4)22-33(39)38-15-13-36(14-16-38)21-32(30-12-11-29(34)18-31(30)35)40-23-26-9-10-27-7-5-6-8-28(27)17-26/h5-12,17-18,24-25,32H,13-16,19-23H2,1-4H3 |
| InChI Key | DVNVYWLKGWAELS-UHFFFAOYSA-N |
| MDL Number | MFCD31619235 |
| Molecular Formula | C33H43Cl2N3O2 |
| Molecular Weight | 584.6194 |
| SMILES | O=C(CN(CC(C)C)CC(C)C)N(CC1)CCN1CC(C2=CC=C(Cl)C=C2Cl)OCC3=CC4=CC=CC=C4C=C3 |
| Synonyms | LYN-1604,
2088939-99-3,
LYN 1604,
BCP28888,
EX-A2585,
HY-101923,
CS-0022180,
1-(4-(2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl)piperazin-1-yl)-2-(diisobutylamino)ethan-1-one,
2-[bis(2-methylpropyl)amino]-1-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]ethanone,
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| Complexity | 750 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 583.273g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 584.626g/mol |
| Monoisotopic Mass | 583.273g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 36A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.6 |
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Certificate of Analysis
Lot Number