tert-butyl N-[(1S)-1-{6-bromo-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}ethyl]carbamate - CAS 1262441-69-9
Catalog: |
BB006544 |
Product Name: |
tert-butyl N-[(1S)-1-{6-bromo-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}ethyl]carbamate |
CAS: |
1262441-69-9 |
Synonyms: |
N-[1-(6-bromo-3-methyl-5-oxo-7-thiazolo[3,2-a]pyrimidinyl)ethyl]carbamic acid tert-butyl ester; tert-butyl N-[1-(6-bromo-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)ethyl]carbamate |
IUPAC Name: | tert-butyl N-[1-(6-bromo-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)ethyl]carbamate |
Description: | tert-butyl N-[(1S)-1-{6-bromo-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}ethyl]carbamate (CAS# 1262441-69-9 ) is a useful research chemical. |
Molecular Weight: | 388.28 |
Molecular Formula: | C14H18BrN3O3S |
Canonical SMILES: | CC1=CSC2=NC(=C(C(=O)N12)Br)C(C)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C14H18BrN3O3S/c1-7-6-22-12-17-10(9(15)11(19)18(7)12)8(2)16-13(20)21-14(3,4)5/h6,8H,1-5H3,(H,16,20) |
InChI Key: | QMZNJVOVCJXCTG-UHFFFAOYSA-N |
LogP: | 3.80350 |
Publication Number | Title | Priority Date |
EP-2448938-B1 | Pyrimidinones as pi3k inhibitors | 20090629 |
EP-2448938-B9 | Pyrimidinones as pi3k inhibitors | 20090629 |
EP-2845856-A1 | Pyrimidinones as PI3K inhibitors | 20090629 |
US-10428087-B2 | Pyrimidinones as PI3K inhibitors | 20090629 |
US-2011015212-A1 | Pyrimidinones as pi3k inhibitors | 20090629 |
Complexity: | 619 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 387.02523 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 387.02523 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 96.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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