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85364-17-6 | 4-METHYL-1-PHENYL-N-(1,3-THIAZOL-2-YL)-1,4-DIHYDROPYRAZOLO[4,3-C][1,2]BENZOTHIAZINE-3-CARBOXAMIDE 5,5-DIOXIDE
CAS No: 85364-17-6 Catalog No: AG004L6Z MDL No:
Product Description
Catalog Number:
AG004L6Z
Chemical Name:
4-METHYL-1-PHENYL-N-(1,3-THIAZOL-2-YL)-1,4-DIHYDROPYRAZOLO[4,3-C][1,2]BENZOTHIAZINE-3-CARBOXAMIDE 5,5-DIOXIDE
CAS Number:
85364-17-6
Molecular Formula:
C20H15N5O3S2
Molecular Weight:
437.4948
IUPAC Name:
4-methyl-5,5-dioxo-1-phenyl-N-(1,3-thiazol-2-yl)pyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide
InChI:
InChI=1S/C20H15N5O3S2/c1-24-18-16(19(26)22-20-21-11-12-29-20)23-25(13-7-3-2-4-8-13)17(18)14-9-5-6-10-15(14)30(24,27)28/h2-12H,1H3,(H,21,22,26)
InChI Key:
QZOCMCQJCBGPSS-UHFFFAOYSA-N
SMILES:
O=C(c1nn(c2c1N(C)S(=O)(=O)c1c2cccc1)c1ccccc1)Nc1nccs1
NSC Number:
373755
Properties
Complexity:
754
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.062g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
437.492g/mol
Monoisotopic Mass:
437.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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