Name: Name:1-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-5-(difluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01B26Q
Rating: 90 (10 reviews)

1-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-5-(difluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

2044713-17-7

Catalog Number:

AG01B26Q

Molecular Formula:

C14H20F2N4O4

Molecular Weight:

346.3298

Catalog Number:

AG01B26Q

Chemical Name:

1-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-5-(difluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

2044713-17-7

Molecular Formula:

C14H20F2N4O4

Molecular Weight:

346.3298

MDL Number:

MFCD30486459

IUPAC Name:

5-(difluoromethyl)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid

InChI:

InChI=1S/C14H20F2N4O4/c1-14(2,3)24-13(23)19-6-4-8(5-7-19)20-10(11(15)16)9(12(21)22)17-18-20/h8,11H,4-7H2,1-3H3,(H,21,22)

InChI Key:

XSWVHLSMQYLRHS-UHFFFAOYSA-N

SMILES:

FC(c1n(nnc1C(=O)O)C1CCN(CC1)C(=O)OC(C)(C)C)F

Complexity:

478

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

346.145g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

346.335g/mol

Monoisotopic Mass:

346.145g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5