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100920-71-6 | Benzenesulfonamide, 2-chloro-N-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]-, mixt. with N'-(3,4-dichlorophenyl)-N-methoxy-N-methylurea
CAS No: 100920-71-6 Catalog No: AG00037N MDL No:
Product Description
Catalog Number:
AG00037N
Chemical Name:
Benzenesulfonamide, 2-chloro-N-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]-, mixt. with N'-(3,4-dichlorophenyl)-N-methoxy-N-methylurea
CAS Number:
100920-71-6
Molecular Formula:
C21H22Cl3N7O6S
Molecular Weight:
606.8667
IUPAC Name:
1-(2-chlorophenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea
InChI:
InChI=1S/C12H12ClN5O4S.C9H10Cl2N2O2/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13;1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-6H,1-2H3,(H2,14,15,16,17,18,19);3-5H,1-2H3,(H,12,14)
InChI Key:
LWAYRTSDOPWBLI-UHFFFAOYSA-N
SMILES:
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C.COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl
Properties
Complexity:
742
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
605.042g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
606.86g/mol
Monoisotopic Mass:
605.042g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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