Home Halogens (S)-N-((R)-1-(2-chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide

(S)-N-((R)-1-(2-chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide

CAS No.:
2070009-31-1
Catalog Number:
AG01DH30
Molecular Formula:
C28H22ClF3N6O3
Molecular Weight:
582.9609
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$168
- +
10mg
98%
1 week
United States
$261
- +
50mg
98%
1 week
United States
$590
- +
100mg
98%
1 week
United States
$923
- +
Product Description
Catalog Number:
AG01DH30
Chemical Name:
(S)-N-((R)-1-(2-chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide
CAS Number:
2070009-31-1
Molecular Formula:
C28H22ClF3N6O3
Molecular Weight:
582.9609
MDL Number:
MFCD29918156
IUPAC Name:
(2S)-N-[(1R)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide
InChI:
InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25+/m0/s1
InChI Key:
WIJZXSAJMHAVGX-WIOPSUGQSA-N
SMILES:
N#Cc1ccnc(c1)N1C(=O)CC[C@H]1C(=O)N([C@H](c1ccccc1Cl)C(=O)NC1CC(C1)(F)F)c1cncc(c1)F
Properties
Complexity:
1050  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
582.139g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
582.968g/mol
Monoisotopic Mass:
582.139g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties