| CAS Number | 672926-33-9 |
| Catalog Number | AG00FC05(AGN-PC-0TNTRU) |
| Chemical Name | Kif15-IN-2 |
| IUPAC Name | (2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methyl-N-[4-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]butanamide |
| InChI | InChI=1S/C20H20N6O4S/c1-9(2)14(26-18(28)12-7-5-6-8-13(12)22-20(26)29)16(27)23-19-21-10(3)15(31-19)17-25-24-11(4)30-17/h5-9,14H,1-4H3,(H,22,29)(H,21,23,27)/t14-/m0/s1 |
| InChI Key | OHVKUJISCPKSER-AWEZNQCLSA-N |
| MDL Number | MFCD28167756 |
| Molecular Formula | C20H20N6O4S |
| Molecular Weight | 440.4756 |
| SMILES | C1C=C2C(=O)N([C@@H](C(C)C)C(NC3SC(C4OC(C)=NN=4)=C(C)N=3)=O)C(=O)NC2=CC=1 |
| Synonyms | Kif15-IN-2,
672926-33-9,
ZINC201766557,
CS-2698,
NCGC00390641-01,
HY-15949,
|
| Complexity | 724 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 440.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 440.478g/mol |
| Monoisotopic Mass | 440.127g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 159A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number