Name: Name:N-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
Brand: Angene
SKU: AG01DGL3
Rating: 90 (10 reviews)

N-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide

CAS No.:

1439399-45-7

Catalog Number:

AG01DGL3

Molecular Formula:

C19H19F3N6O2S

Molecular Weight:

452.4534

Catalog Number:

AG01DGL3

Chemical Name:

N-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide

CAS Number:

1439399-45-7

Molecular Formula:

C19H19F3N6O2S

Molecular Weight:

452.4534

MDL Number:

MFCD28411496

IUPAC Name:

N-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide

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

SMILES:

O=C(N=c1ccc(n[nH]1)CCCCc1n[nH]c(=N)s1)Cc1cccc(c1)OC(F)(F)F

Complexity:

573

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

452.124g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

452.456g/mol

Monoisotopic Mass:

452.124g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

144A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2