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78311-74-7 | 4-(((2-HYDROXYPHENYL)METHYLENE)AMINO)-N-(4-METHYL-PYRIMIDIN-2-YL)-N-(2-(1H-TETRAZOL-5-YL)ETHYL)BENZENESULFONAMIDE
CAS No: 78311-74-7 Catalog No: AG0053Q7 MDL No:
Product Description
Catalog Number:
AG0053Q7
Chemical Name:
4-(((2-HYDROXYPHENYL)METHYLENE)AMINO)-N-(4-METHYL-PYRIMIDIN-2-YL)-N-(2-(1H-TETRAZOL-5-YL)ETHYL)BENZENESULFONAMIDE
CAS Number:
78311-74-7
Molecular Formula:
C21H20N8O3S
Molecular Weight:
464.5003
IUPAC Name:
4-[(2-hydroxyphenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
InChI:
InChI=1S/C21H20N8O3S/c1-15-10-12-22-21(24-15)29(13-11-20-25-27-28-26-20)33(31,32)18-8-6-17(7-9-18)23-14-16-4-2-3-5-19(16)30/h2-10,12,14,30H,11,13H2,1H3,(H,25,26,27,28)
InChI Key:
NJPAIKDRHUCWTN-UHFFFAOYSA-N
SMILES:
Cc1ccnc(n1)N(S(=O)(=O)c1ccc(cc1)N=Cc1ccccc1O)CCc1nnn[nH]1
Properties
Complexity:
740
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.138g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
464.504g/mol
Monoisotopic Mass:
464.138g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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