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78311-83-8 | N-(4-(((4-(((4,6-DIMETHYL-PYRIMIDIN-2-YL)(2-(1H-TETRAZOL-5-YL)ETHYL)AMINO)SULFONYL)PHENYL)IMINO) METHYL)PHENYL)ACETAMIDE
CAS No: 78311-83-8 Catalog No: AG0053Q4 MDL No:
Product Description
Catalog Number:
AG0053Q4
Chemical Name:
N-(4-(((4-(((4,6-DIMETHYL-PYRIMIDIN-2-YL)(2-(1H-TETRAZOL-5-YL)ETHYL)AMINO)SULFONYL)PHENYL)IMINO) METHYL)PHENYL)ACETAMIDE
CAS Number:
78311-83-8
Molecular Formula:
C24H25N9O3S
Molecular Weight:
519.5788
IUPAC Name:
N-[4-[[4-[(4,6-dimethylpyrimidin-2-yl)-[2-(2H-tetrazol-5-yl)ethyl]sulfamoyl]phenyl]iminomethyl]phenyl]acetamide
InChI:
InChI=1S/C24H25N9O3S/c1-16-14-17(2)27-24(26-16)33(13-12-23-29-31-32-30-23)37(35,36)22-10-8-20(9-11-22)25-15-19-4-6-21(7-5-19)28-18(3)34/h4-11,14-15H,12-13H2,1-3H3,(H,28,34)(H,29,30,31,32)
InChI Key:
OLWPYXFFUVXZGQ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)C=Nc1ccc(cc1)S(=O)(=O)N(c1nc(C)cc(n1)C)CCc1nnn[nH]1
Properties
Complexity:
857
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
519.18g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
519.584g/mol
Monoisotopic Mass:
519.18g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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