| CAS Number | 1639422-97-1 |
| Catalog Number | AG01EO8R(AGN-PC-3H46A1) |
| Chemical Name | JH-VIII-157-02 |
| IUPAC Name | 2-[4-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]-N,N-dimethylacetamide |
| InChI | InChI=1S/C28H27N5O2/c1-6-17-10-21-22(11-20(17)18-13-30-33(14-18)15-24(34)32(4)5)28(2,3)27-25(26(21)35)19-8-7-16(12-29)9-23(19)31-27/h7-11,13-14,31H,6,15H2,1-5H3 |
| InChI Key | IDGNCVHQDDOPND-UHFFFAOYSA-N |
| MDL Number | MFCD31657417 |
| Molecular Formula | C28H27N5O2 |
| Molecular Weight | 465.5463 |
| SMILES | CCc1cc2C(=O)c3c4ccc(cc4[nH]c3C(c2cc1c1cnn(c1)CC(=O)N(C)C)(C)C)C#N |
| Synonyms | JH-VIII-157-02,
JH-VIII-157-02,
1639422-97-1,
CHEMBL3735401,
SCHEMBL20494674,
HY-112140,
CS-0043469,
J3.559.452C,
|
| Complexity | 893 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 465.216g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 465.557g/mol |
| Monoisotopic Mass | 465.216g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number