| CAS Number | 691846-63-6 |
| Catalog Number | AG00FGE6 |
| Chemical Name | 2-METHYL-BIPHENYL-4,4'-DICARBOXYLIC ACID 4-AMIDE 4'-([4-METHOXY-3-(4-METHYL-PIPERAZIN-1-YL)-PHENYL]-AMIDE) |
| IUPAC Name | 4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-3-methylbenzamide |
| InChI | InChI=1S/C27H30N4O3/c1-18-16-21(26(28)32)8-10-23(18)19-4-6-20(7-5-19)27(33)29-22-9-11-25(34-3)24(17-22)31-14-12-30(2)13-15-31/h4-11,16-17H,12-15H2,1-3H3,(H2,28,32)(H,29,33) |
| InChI Key | VFXRXIHKXXMGNA-UHFFFAOYSA-N |
| MDL Number | MFCD10565903 |
| Molecular Formula | C27H30N4O3 |
| Molecular Weight | 458.5521 |
| SMILES | CC1=C(C=CC(=C1)C(=O)N)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)N4CCN(CC4)C |
| Synonyms | CHEMBL147071,
GMC 3-15,
ZINC1487796,
BDBM50084953,
NCGC00386478-01,
691846-63-6,
L019418,
2-Methyl-biphenyl-4,4''-dicarboxylic acid 4-amide 4''-{[4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide},
2-Methyl-biphenyl-4,4'-dicarboxylic acid 4-amide 4'-{[4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide},
N-[4-Methoxy-3-(4-methyl-1-piperazinyl)phenyl]-2'-methyl-1,1'-biphenyl-4,4'-dicarboxamide,
CID10718709,
4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-3-methyl-benzamide,
|
| Complexity | 687 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 458.232g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 458.562g/mol |
| Monoisotopic Mass | 458.232g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 87.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number