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1704741-11-6 |
CAS No: 1704741-11-6 Catalog No: AG01FGAL MDL No:
Product Description
Catalog Number:
AG01FGAL
CAS Number:
1704741-11-6
Molecular Formula:
C26H25N5O3
Molecular Weight:
455.5084
IUPAC Name:
(2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C26H25N5O3/c1-16-23(17(2)34-30-16)15-31-14-18(13-27)22-12-21(9-10-25(22)31)33-20-7-5-19(6-8-20)29-26(32)24-4-3-11-28-24/h5-10,12,14,24,28H,3-4,11,15H2,1-2H3,(H,29,32)/t24-/m0/s1
InChI Key:
NDIKFKQBWGMLCA-DEOSSOPVSA-N
SMILES:
N#Cc1cn(c2c1cc(cc2)Oc1ccc(cc1)NC(=O)[C@@H]1CCCN1)Cc1c(C)noc1C
Properties
Complexity:
763
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
455.196g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
455.518g/mol
Monoisotopic Mass:
455.196g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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