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methyl 2-({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]amino}sulfonyl)benzoate

methyl 2-({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]amino}sulfonyl)benzoate

CAS: 101200-48-0

Formula: C15H17N5O6S

SMILES: COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N(C)C1=NC(C)=NC(OC)=N1

IUPAC: methyl 2-({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]amino}sulfonyl)benzoate

InChI: InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)

Composition: C (45.57%), H (4.33%), N (17.71%), O (24.28%), S (8.11%)

Molar Mass: 395.39

Atom Count: 44

Heavy Atom Count: 27

Properties
Properties
Common Names sulfmethmeton-methyl; tribenuron methyl; tribenuron methyl ester; tribenuron-methyl
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 395.089954461
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 1
InChIKey VLCQZHSMCYCDJL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.5
Topological Polar Surface Area 140.68
Polarizability 36.36
Ring Count 2
Rotatable Bond Count 5

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