Name: Name:SP-13786
Brand: Angene
SKU: AG01EMZ4
Rating: 90 (10 reviews)

SP-13786

CAS No.:

1448440-52-5

Catalog Number:

AG01EMZ4

Molecular Formula:

C17H14F2N4O2

Molecular Weight:

344.3155

Catalog Number:

AG01EMZ4

Chemical Name:

SP-13786

CAS Number:

1448440-52-5

Molecular Formula:

C17H14F2N4O2

Molecular Weight:

344.3155

MDL Number:

MFCD29477499

IUPAC Name:

N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide

InChI:

InChI=1S/C17H14F2N4O2/c18-17(19)7-11(8-20)23(10-17)15(24)9-22-16(25)13-5-6-21-14-4-2-1-3-12(13)14/h1-6,11H,7,9-10H2,(H,22,25)/t11-/m0/s1

InChI Key:

PUOOCZVRHBHJRS-NSHDSACASA-N

SMILES:

N#C[C@@H]1CC(CN1C(=O)CNC(=O)c1ccnc2c1cccc2)(F)F

Complexity:

588

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

344.108g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

344.322g/mol

Monoisotopic Mass:

344.108g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6