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116414-33-6 | Butanamide, N-(phenylmethyl)-4-(phenylsulfinyl)-
CAS No: 116414-33-6 Catalog No: AG000CG0 MDL No:
Product Description
Catalog Number:
AG000CG0
Chemical Name:
Butanamide, N-(phenylmethyl)-4-(phenylsulfinyl)-
CAS Number:
116414-33-6
Molecular Formula:
C17H19NO2S
Molecular Weight:
301.4033
IUPAC Name:
4-(benzenesulfinyl)-N-benzylbutanamide
InChI:
InChI=1S/C17H19NO2S/c19-17(18-14-15-8-3-1-4-9-15)12-7-13-21(20)16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2,(H,18,19)
InChI Key:
IUSYNVWZJMCYTQ-UHFFFAOYSA-N
SMILES:
O=C(NCc1ccccc1)CCCS(=O)c1ccccc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.404g/mol
Monoisotopic Mass:
301.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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