Name: Name:(Z)-5-Fluoro-2-((4-oxo-2-(tetrahydropyridazin-1(2H)-yl)thiazol-5(4H)-ylidene)methyl)phenyl pyrrolidine-1-carboxylate
Brand: Angene
SKU: AG019D2Q
Rating: 90 (10 reviews)

(Z)-5-Fluoro-2-((4-oxo-2-(tetrahydropyridazin-1(2H)-yl)thiazol-5(4H)-ylidene)methyl)phenyl pyrrolidine-1-carboxylate

CAS No.:

1181083-81-7

Catalog Number:

AG019D2Q

Molecular Formula:

C19H21FN4O3S

Molecular Weight:

404.4584

Catalog Number:

AG019D2Q

Chemical Name:

(Z)-5-Fluoro-2-((4-oxo-2-(tetrahydropyridazin-1(2H)-yl)thiazol-5(4H)-ylidene)methyl)phenyl pyrrolidine-1-carboxylate

CAS Number:

1181083-81-7

Molecular Formula:

C19H21FN4O3S

Molecular Weight:

404.4584

MDL Number:

MFCD28166314

IUPAC Name:

[2-[(Z)-[2-(diazinan-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]-5-fluorophenyl] pyrrolidine-1-carboxylate

InChI:

InChI=1S/C19H21FN4O3S/c20-14-6-5-13(15(12-14)27-19(26)23-8-3-4-9-23)11-16-17(25)22-18(28-16)24-10-2-1-7-21-24/h5-6,11-12,21H,1-4,7-10H2/b16-11-

InChI Key:

DIXMMXNNKLCLOM-WJDWOHSUSA-N

SMILES:

Fc1ccc(c(c1)OC(=O)N1CCCC1)/C=C/1\SC(=NC1=O)N1CCCCN1

Complexity:

680

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

404.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

404.46g/mol

Monoisotopic Mass:

404.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1