| CAS Number | 1431697-84-5 |
| Catalog Number | AG009CBP |
| Chemical Name | 4-(4-fluorophenyl)-N-(3-Methoxy-4-(4-Methyl-1H-iMidazol-1-yl)phenyl)-4,5,6,7-tetrahydrobenzo[d]thiazol-2-aMine |
| IUPAC Name | 4-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C24H23FN4OS/c1-15-13-29(14-26-15)20-11-10-18(12-21(20)30-2)27-24-28-23-19(4-3-5-22(23)31-24)16-6-8-17(25)9-7-16/h6-14,19H,3-5H2,1-2H3,(H,27,28) |
| InChI Key | UCGDOBMXNQTSSO-UHFFFAOYSA-N |
| MDL Number | MFCD23380596 |
| Molecular Formula | C24H23FN4OS |
| Molecular Weight | 434.529 |
| SMILES | COC1C=C(NC2SC3CCCC(C4C=CC(F)=CC=4)C=3N=2)C=CC=1N1C=NC(C)=C1 |
| Synonyms | gamma-secretase modulator 3,
1431697-84-5,
AKOS030526524,
CS-1149,
NCGC00378929-01,
HY-50889,
W-6019,
4-(4-fluorophenyl)-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-4,5,6,7-tetrahydrobenzo[d]thiazol-2-amine,
A15090,
|
| Complexity | 592 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 434.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 434.533g/mol |
| Monoisotopic Mass | 434.158g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
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