| CAS Number | 672926-32-8 |
| Catalog Number | AG00FC04(AGN-PC-0TNTRN) |
| Chemical Name | Kif15-IN-1 |
| IUPAC Name | ethyl 2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C20H22N4O5S/c1-5-29-18(27)15-11(4)21-19(30-15)23-16(25)14(10(2)3)24-17(26)12-8-6-7-9-13(12)22-20(24)28/h6-10,14H,5H2,1-4H3,(H,22,28)(H,21,23,25)/t14-/m0/s1 |
| InChI Key | CTQQKICGMSZCJL-AWEZNQCLSA-N |
| MDL Number | MFCD18973807 |
| Molecular Formula | C20H22N4O5S |
| Molecular Weight | 430.4775 |
| SMILES | O=C1NC2=CC=CC=C2C(N1[C@H](C(=O)NC=1SC(=C(N1)C)C(=O)OCC)C(C)C)=O |
| Synonyms | Kif15-IN-1,
672926-32-8,
AKOS030526872,
ZINC201766361,
CS-2697,
NCGC00390650-01,
HY-15948,
|
| Complexity | 703 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 430.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 430.479g/mol |
| Monoisotopic Mass | 430.131g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 146A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number