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36911-74-7 | 1-methyl-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5-nitro-1h-benzimidazole
CAS No: 36911-74-7 Catalog No: AG0077N0 MDL No:
Product Description
Catalog Number:
AG0077N0
Chemical Name:
1-methyl-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5-nitro-1h-benzimidazole
CAS Number:
36911-74-7
Molecular Formula:
C14H18N4O3S
Molecular Weight:
322.3827
IUPAC Name:
4-[2-(1-methyl-5-nitrobenzimidazol-2-yl)sulfanylethyl]morpholine
InChI:
InChI=1S/C14H18N4O3S/c1-16-13-3-2-11(18(19)20)10-12(13)15-14(16)22-9-6-17-4-7-21-8-5-17/h2-3,10H,4-9H2,1H3
InChI Key:
SHKYBBFCTRLICI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc(n2C)SCCN1CCOCC1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.383g/mol
Monoisotopic Mass:
322.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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