Name: Name:2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
Brand: Angene
SKU: AG01EKK8
Rating: 90 (10 reviews)

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid

CAS No.:

2137448-31-6

Catalog Number:

AG01EKK8

Molecular Formula:

C22H18F3N3O4

Molecular Weight:

445.3912

Catalog Number:

AG01EKK8

Chemical Name:

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid

CAS Number:

2137448-31-6

Molecular Formula:

C22H18F3N3O4

Molecular Weight:

445.3912

MDL Number:

MFCD31665005

IUPAC Name:

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid

InChI:

InChI=1S/C22H18F3N3O4/c23-22(24,25)19-9-10-28(27-19)11-18(20(29)30)26-21(31)32-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17-18H,11-12H2,(H,26,31)(H,29,30)

InChI Key:

ACNLZHGQCZXOSU-UHFFFAOYSA-N

SMILES:

O=C(NC(C(=O)O)Cn1ccc(n1)C(F)(F)F)OCC1c2ccccc2c2c1cccc2

Complexity:

670

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

445.125g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

445.398g/mol

Monoisotopic Mass:

445.125g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5