| CAS Number | 2100284-59-9 |
| Catalog Number | AG01EOLN(AGN-PC-3H46FD) |
| Chemical Name | AZ3451 |
| IUPAC Name | 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-cyanophenyl)-1-[(1S)-1-cyclohexylethyl]benzimidazole-5-carboxamide |
| InChI | InChI=1S/C30H27BrN4O3/c1-18(20-5-3-2-4-6-20)35-26-12-9-21(30(36)33-22-10-7-19(16-32)8-11-22)13-25(26)34-29(35)23-14-27-28(15-24(23)31)38-17-37-27/h7-15,18,20H,2-6,17H2,1H3,(H,33,36)/t18-/m0/s1 |
| InChI Key | FJAOGFGHTPYADT-SFHVURJKSA-N |
| MDL Number | MFCD31728469 |
| Molecular Formula | C30H27BrN4O3 |
| Molecular Weight | 571.4644 |
| SMILES | O=C(C1=CC=C2N([C@H](C3CCCCC3)C)C(C4=C(Br)C=C(OCO5)C5=C4)=NC2=C1)NC6=CC=C(C#N)C=C6 |
| Synonyms | 2-(6-bromobenzo(d)(1,3)dioxol-5-yl)-N-(4-cyanophenyl)-1-(1-cyclohexylethyl)-1Hbenzo(d)imidazole-5-carboxamide,
AZ3451,
AZ3451,
2100284-59-9,
(S)-2-(6-bromobenzo[d][1,3]dioxol-5-yl)-N-(4-cyanophenyl)-1-(1-cyclohexylethyl)-1H-benzo[d]imidazole-5-carboxamide,
2-(6-Bromanyl-1,3-Benzodioxol-5-Yl)-~{n}-(4-Cyanophenyl)-1-[(1~{s})-1-Cyclohexylethyl]benzimidazole-5-Carboxamide,
GTPL9560,
EX-A1865,
MFCD31728469,
AZ 3451,
AZ-3451,
HY-112558,
CS-0046379,
8UN,
|
| Complexity | 882 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 570.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 571.475g/mol |
| Monoisotopic Mass | 570.127g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 89.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number