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85877-87-8 | methyl 3-[[4-(methylamino-oxaldehydoyl-sulfamoyl)phenyl]carbamoyl]propanoate
CAS No: 85877-87-8 Catalog No: AG008GA1 MDL No:
Product Description
Catalog Number:
AG008GA1
Chemical Name:
methyl 3-[[4-(methylamino-oxaldehydoyl-sulfamoyl)phenyl]carbamoyl]propanoate
CAS Number:
85877-87-8
Molecular Formula:
C14H17N3O7S
Molecular Weight:
371.3657
IUPAC Name:
methyl 4-[4-[methylamino(oxaldehydoyl)sulfamoyl]anilino]-4-oxobutanoate
InChI:
InChI=1S/C14H17N3O7S/c1-15-17(13(20)9-18)25(22,23)11-5-3-10(4-6-11)16-12(19)7-8-14(21)24-2/h3-6,9,15H,7-8H2,1-2H3,(H,16,19)
InChI Key:
UDDQDBBRSCYMAS-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N(C(=O)C=O)NC
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.079g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.364g/mol
Monoisotopic Mass:
371.079g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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