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824938-49-0 | Benzamide, N-(3-amino-3-oxopropyl)-2-mercapto-3-methoxy-
CAS No: 824938-49-0 Catalog No: AG00509L MDL No:
Product Description
Catalog Number:
AG00509L
Chemical Name:
Benzamide, N-(3-amino-3-oxopropyl)-2-mercapto-3-methoxy-
CAS Number:
824938-49-0
Molecular Formula:
C11H14N2O3S
Molecular Weight:
254.3055
IUPAC Name:
N-(3-amino-3-oxopropyl)-3-methoxy-2-sulfanylbenzamide
InChI:
InChI=1S/C11H14N2O3S/c1-16-8-4-2-3-7(10(8)17)11(15)13-6-5-9(12)14/h2-4,17H,5-6H2,1H3,(H2,12,14)(H,13,15)
InChI Key:
ONDRDUQORFVTAG-UHFFFAOYSA-N
SMILES:
COc1cccc(c1S)C(=O)NCCC(=O)N
NSC Number:
725909
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.304g/mol
Monoisotopic Mass:
254.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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