3H-1,2,4-Triazol-3-one,5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-


Chemical Name: 3H-1,2,4-Triazol-3-one,5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-
CAS Number: 170729-80-3
Product Number: AG0034H4(AGN-PC-0Q9RX5)
Synonyms:
MDL No:
Molecular Formula: C23H21F7N4O3
Molecular Weight: 534.4267

Identification/Properties


Properties
MP:
244-246°C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
534.435g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
6
Exact Mass:
534.15g/mol
Monoisotopic Mass:
534.15g/mol
Topological Polar Surface Area:
75.2A^2
Heavy Atom Count:
37
Formal Charge:
0
Complexity:
810
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


PNMR/Aprepitant-170729-80-3-hnmr.pdf

Other Analytical Data


POTHER/Aprepitant-170729-80-3-hplc.pdf

Request for Quotation


Customer Feedback