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Home > Nitro Compounds > 75291-65-5
75291-65-5 | 1-[4-(morpholin-4-yl)pyridin-2-yl]-3-(4-nitrophenyl)-1-phenylurea
CAS No: 75291-65-5 Catalog No: AG005MF5 MDL No:
Product Description
Catalog Number:
AG005MF5
Chemical Name:
1-[4-(morpholin-4-yl)pyridin-2-yl]-3-(4-nitrophenyl)-1-phenylurea
CAS Number:
75291-65-5
Molecular Formula:
C22H21N5O4
Molecular Weight:
419.4332
IUPAC Name:
1-(4-morpholin-4-ylpyridin-2-yl)-3-(4-nitrophenyl)-1-phenylurea
InChI:
InChI=1S/C22H21N5O4/c28-22(24-17-6-8-19(9-7-17)27(29)30)26(18-4-2-1-3-5-18)21-16-20(10-11-23-21)25-12-14-31-15-13-25/h1-11,16H,12-15H2,(H,24,28)
InChI Key:
LCFJSUBDIUBTJH-UHFFFAOYSA-N
SMILES:
O=C(N(c1nccc(c1)N1CCOCC1)c1ccccc1)Nc1ccc(cc1)[N+](=O)[O-]
NSC Number:
111091
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.159g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
419.441g/mol
Monoisotopic Mass:
419.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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