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66485-89-0 | N-METHOXY-N-[2-(6-NITROBENZOIMIDAZOL-1-YL)ETHYLCARBAMOYL]BENZAMIDE
CAS No: 66485-89-0 Catalog No: AG006KYG MDL No:
Product Description
Catalog Number:
AG006KYG
Chemical Name:
N-METHOXY-N-[2-(6-NITROBENZOIMIDAZOL-1-YL)ETHYLCARBAMOYL]BENZAMIDE
CAS Number:
66485-89-0
Molecular Formula:
C18H17N5O5
Molecular Weight:
383.3581
IUPAC Name:
N-methoxy-N-[2-(6-nitrobenzimidazol-1-yl)ethylcarbamoyl]benzamide
InChI:
InChI=1S/C18H17N5O5/c1-28-22(17(24)13-5-3-2-4-6-13)18(25)19-9-10-21-12-20-15-8-7-14(23(26)27)11-16(15)21/h2-8,11-12H,9-10H2,1H3,(H,19,25)
InChI Key:
GTZVTJWCVDNGAT-UHFFFAOYSA-N
SMILES:
CON(C(=O)c1ccccc1)C(=O)NCCn1cnc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.123g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.364g/mol
Monoisotopic Mass:
383.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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