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Home > Nitro Compounds > 1092346-15-0
1092346-15-0 | 4-(azepan-1-yl)-N-(2-carbamoylphenyl)-3-nitrobenzamide
CAS No: 1092346-15-0 Catalog No: AG00ISJG MDL No:MFCD11501698
Product Description
Catalog Number:
AG00ISJG
Chemical Name:
4-(azepan-1-yl)-N-(2-carbamoylphenyl)-3-nitrobenzamide
CAS Number:
1092346-15-0
Molecular Formula:
C20H22N4O4
Molecular Weight:
382.4131
MDL Number:
MFCD11501698
IUPAC Name:
4-(azepan-1-yl)-N-(2-carbamoylphenyl)-3-nitrobenzamide
InChI:
InChI=1S/C20H22N4O4/c21-19(25)15-7-3-4-8-16(15)22-20(26)14-9-10-17(18(13-14)24(27)28)23-11-5-1-2-6-12-23/h3-4,7-10,13H,1-2,5-6,11-12H2,(H2,21,25)(H,22,26)
InChI Key:
UVVNXISLTAGVKT-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCCCCC1)Nc1ccccc1C(=O)N
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.164g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
382.42g/mol
Monoisotopic Mass:
382.164g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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