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156732-12-6 | Benzenepentanenitrile, γ-[bis(phenylmethyl)amino]-β-oxo-, (γS)-
CAS No: 156732-12-6 Catalog No: AG001OXV MDL No:MFCD07369310
Product Description
Catalog Number:
AG001OXV
Chemical Name:
Benzenepentanenitrile, γ-[bis(phenylmethyl)amino]-β-oxo-, (γS)-
CAS Number:
156732-12-6
Molecular Formula:
C25H24N2O
Molecular Weight:
368.4709
MDL Number:
MFCD07369310
IUPAC Name:
(4S)-4-(dibenzylamino)-3-oxo-5-phenylpentanenitrile
InChI:
InChI=1S/C25H24N2O/c26-17-16-25(28)24(18-21-10-4-1-5-11-21)27(19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15,24H,16,18-20H2/t24-/m0/s1
InChI Key:
MYTIELGBBUTMMA-DEOSSOPVSA-N
SMILES:
N#CCC(=O)[C@@H](N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
368.189g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.48g/mol
Monoisotopic Mass:
368.189g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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