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917749-46-3 | N-Cyclopentyl-2-(2-mercapto-benzoimidazol-1-yl)-acetamide
CAS No: 917749-46-3 Catalog No: AG01F7DM MDL No:
Product Description
Catalog Number:
AG01F7DM
Chemical Name:
N-Cyclopentyl-2-(2-mercapto-benzoimidazol-1-yl)-acetamide
CAS Number:
917749-46-3
Molecular Formula:
C14H17N3OS
Molecular Weight:
275.3693
IUPAC Name:
N-cyclopentyl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)acetamide
InChI:
InChI=1S/C14H17N3OS/c18-13(15-10-5-1-2-6-10)9-17-12-8-4-3-7-11(12)16-14(17)19/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,18)(H,16,19)
InChI Key:
YJMCFBMMWZEXPY-UHFFFAOYSA-N
SMILES:
O=C(Cn1c(S)nc2c1cccc2)NC1CCCC1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.37g/mol
Monoisotopic Mass:
275.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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