N-[6-[4-(5-Amino-1,3,4-thiadiazol-2-yl)butyl]-3-pyridazinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide - CAS 1439399-45-7
Catalog: |
BB009693 |
Product Name: |
N-[6-[4-(5-Amino-1,3,4-thiadiazol-2-yl)butyl]-3-pyridazinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide |
CAS: |
1439399-45-7 |
Synonyms: |
N-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]-3-pyridazinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide; N-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide |
IUPAC Name: | N-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide |
Description: | N-[6-[4-(5-Amino-1,3,4-thiadiazol-2-yl)butyl]-3-pyridazinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide (CAS# 1439399-45-7 ) is a useful research chemical. |
Molecular Weight: | 452.45 |
Molecular Formula: | C19H19F3N6O2S |
Canonical SMILES: | C1=CC(=CC(=C1)OC(F)(F)F)CC(=O)NC2=NN=C(C=C2)CCCCC3=NN=C(S3)N |
InChI: | InChI=1S/C19H19F3N6O2S/c20-19(21,22)30-14-6-3-4-12(10-14)11-16(29)24-15-9-8-13(25-26-15)5-1-2-7-17-27-28-18(23)31-17/h3-4,6,8-10H,1-2,5,7,11H2,(H2,23,28)(H,24,26,29) |
InChI Key: | SXFQBUKKIKMRPM-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2018055825-A1 | Treatment of cancer with inhibitors of glutaminase | 20160825 |
WO-2018039442-A1 | Treatment of cancer with inhibitors of glutaminase | 20160825 |
US-10441587-B2 | Treatment of lung cancer with inhibitors of glutaminase | 20150406 |
US-2016287585-A1 | Treatment of Lung Cancer with Inhibitors of Glutaminase | 20150406 |
WO-2016164401-A1 | Treatment of lung cancer with inhibitors of glutaminase | 20150406 |
Complexity: | 573 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 452.12422953 |
Formal Charge: | 0 |
Heavy Atom Count: | 31 |
Hydrogen Bond Acceptor Count: | 11 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 452.12422953 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 144 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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