Home Other Building Blocks 1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-N-(2-hydroxyphenyl)-2-(1-methylethyl)-4-(phenyl-d5)-1-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]- (9CI)

1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-N-(2-hydroxyphenyl)-2-(1-methylethyl)-4-(phenyl-d5)-1-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]- (9CI)

CAS No.:
265989-50-2
Catalog Number:
AG002TTG
Molecular Formula:
C33H28D5FN2O5
Molecular Weight:
561.6547
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Product Description
Catalog Number:
AG002TTG
Chemical Name:
1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-N-(2-hydroxyphenyl)-2-(1-methylethyl)-4-(phenyl-d5)-1-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]- (9CI)
CAS Number:
265989-50-2
Molecular Formula:
C33H28D5FN2O5
Molecular Weight:
561.6547
MDL Number:
MFCD08063402
IUPAC Name:
5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N-(2-hydroxyphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-2-propan-2-ylpyrrole-3-carboxamide
InChI:
InChI=1S/C33H33FN2O5/c1-20(2)31-30(33(40)35-26-10-6-7-11-27(26)38)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-25-18-24(37)19-28(39)41-25/h3-15,20,24-25,37-38H,16-19H2,1-2H3,(H,35,40)/t24-,25-/m1/s1/i3D,4D,5D,8D,9D
InChI Key:
MNECBMZJZFGTIK-AABVQTEKSA-N
SMILES:
O[C@@H]1C[C@@H](CCn2c(C(C)C)c(c(c2c2ccc(cc2)F)c2c([2H])c([2H])c(c(c2[2H])[2H])[2H])C(=O)Nc2ccccc2O)OC(=O)C1
Properties
Complexity:
874  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
561.269g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
5  
Molecular Weight:
561.665g/mol
Monoisotopic Mass:
561.269g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Properties