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78311-76-9 | 4-(((4-(DIMETHYLAMINO)PHENYL)METHYLENE)AMINO)-N-(4-METHYL-PYRIMIDIN-2-YL)-N-(2-(1H-TETRAZOL-5-YL) ETHYL)BENZENESULFONAMIDE
CAS No: 78311-76-9 Catalog No: AG0053Q6 MDL No:
Product Description
Catalog Number:
AG0053Q6
Chemical Name:
4-(((4-(DIMETHYLAMINO)PHENYL)METHYLENE)AMINO)-N-(4-METHYL-PYRIMIDIN-2-YL)-N-(2-(1H-TETRAZOL-5-YL) ETHYL)BENZENESULFONAMIDE
CAS Number:
78311-76-9
Molecular Formula:
C23H25N9O2S
Molecular Weight:
491.5687
IUPAC Name:
4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(4-methylpyrimidin-2-yl)-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
InChI:
InChI=1S/C23H25N9O2S/c1-17-12-14-24-23(26-17)32(15-13-22-27-29-30-28-22)35(33,34)21-10-6-19(7-11-21)25-16-18-4-8-20(9-5-18)31(2)3/h4-12,14,16H,13,15H2,1-3H3,(H,27,28,29,30)
InChI Key:
KLNSYPGIUSBEED-UHFFFAOYSA-N
SMILES:
Cc1ccnc(n1)N(S(=O)(=O)c1ccc(cc1)N=Cc1ccc(cc1)N(C)C)CCc1nnn[nH]1
Properties
Complexity:
774
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.185g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
491.574g/mol
Monoisotopic Mass:
491.185g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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