200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1226781-87-8
1226781-87-8 | Carbamic acid, N-[(2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2,6-dihydro-2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-yl]-, 1,1-dimethylethyl ester
CAS No: 1226781-87-8 Catalog No: AG0017MG MDL No:
Product Description
Catalog Number:
AG0017MG
Chemical Name:
Carbamic acid, N-[(2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2,6-dihydro-2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-yl]-, 1,1-dimethylethyl ester
CAS Number:
1226781-87-8
Molecular Formula:
C22H28F2N4O5S
Molecular Weight:
498.5433
IUPAC Name:
tert-butyl N-[(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-yl]carbamate
InChI:
InChI=1S/C22H28F2N4O5S/c1-22(2,3)33-21(29)25-18-8-15(12-32-20(18)16-7-14(23)5-6-17(16)24)27-9-13-10-28(34(4,30)31)26-19(13)11-27/h5-7,10,15,18,20H,8-9,11-12H2,1-4H3,(H,25,29)/t15-,18+,20-/m1/s1
InChI Key:
VDMWMXLTWHVELA-MOXGXCLJSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2c(C1)cn(n2)S(=O)(=O)C
Properties
Complexity:
851
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
498.175g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
498.546g/mol
Monoisotopic Mass:
498.175g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.