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876395-58-3 | Imidazolidine, 2-(1H-indol-1-yl)-3,4-dimethyl-1-[(3-nitrophenyl)sulfonyl]-
CAS No: 876395-58-3 Catalog No: AG008EC6 MDL No:
Product Description
Catalog Number:
AG008EC6
Chemical Name:
Imidazolidine, 2-(1H-indol-1-yl)-3,4-dimethyl-1-[(3-nitrophenyl)sulfonyl]-
CAS Number:
876395-58-3
Molecular Formula:
C19H20N4O4S
Molecular Weight:
400.4515
IUPAC Name:
1-[3,4-dimethyl-1-(3-nitrophenyl)sulfonylimidazolidin-2-yl]indole
InChI:
InChI=1S/C19H20N4O4S/c1-14-13-22(28(26,27)17-8-5-7-16(12-17)23(24)25)19(20(14)2)21-11-10-15-6-3-4-9-18(15)21/h3-12,14,19H,13H2,1-2H3
InChI Key:
UCCIOVYBPXZSOP-UHFFFAOYSA-N
SMILES:
CN1C(C)CN(C1n1ccc2c1cccc2)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
691
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.121g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.453g/mol
Monoisotopic Mass:
400.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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