Name: Name:5-(difluoromethyl)-1-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01EKR3
Rating: 90 (10 reviews)

5-(difluoromethyl)-1-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

2137896-99-0

Catalog Number:

AG01EKR3

Molecular Formula:

C24H22F2N4O4

Molecular Weight:

468.4527

Catalog Number:

AG01EKR3

Chemical Name:

5-(difluoromethyl)-1-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

2137896-99-0

Molecular Formula:

C24H22F2N4O4

Molecular Weight:

468.4527

MDL Number:

MFCD31558858

IUPAC Name:

5-(difluoromethyl)-1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]triazole-4-carboxylic acid

InChI:

InChI=1S/C24H22F2N4O4/c25-22(26)21-20(23(31)32)27-28-30(21)14-9-11-29(12-10-14)24(33)34-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19,22H,9-13H2,(H,31,32)

InChI Key:

QCKPGIASDFLXPN-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(CC1)n1nnc(c1C(F)F)C(=O)O)OCC1c2ccccc2c2c1cccc2

Complexity:

729

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

468.161g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

468.461g/mol

Monoisotopic Mass:

468.161g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7