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24963-94-8 | 2-Dibenzothiophenebutanamide, α-methyl-
CAS No: 24963-94-8 Catalog No: AG002Q02 MDL No:
Product Description
Catalog Number:
AG002Q02
Chemical Name:
2-Dibenzothiophenebutanamide, α-methyl-
CAS Number:
24963-94-8
Molecular Formula:
C17H17NOS
Molecular Weight:
283.3880
IUPAC Name:
4-dibenzothiophen-2-yl-2-methylbutanamide
InChI:
InChI=1S/C17H17NOS/c1-11(17(18)19)6-7-12-8-9-16-14(10-12)13-4-2-3-5-15(13)20-16/h2-5,8-11H,6-7H2,1H3,(H2,18,19)
InChI Key:
MQQIXDHQNUSEAT-UHFFFAOYSA-N
SMILES:
NC(=O)C(CCc1ccc2c(c1)c1ccccc1s2)C
NSC Number:
108812
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.389g/mol
Monoisotopic Mass:
283.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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