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75224-77-0 | N-[(7-CHLORO-4-THIA-1,6-DIAZABICYCLO[3.3.0]OCTA-2,5,7-TRIEN-8-YL)METHYLIDENEAMINO]-4-METHYL-BENZENESULFONAMIDE
CAS No: 75224-77-0 Catalog No: AG005CVA MDL No:
Product Description
Catalog Number:
AG005CVA
Chemical Name:
N-[(7-CHLORO-4-THIA-1,6-DIAZABICYCLO[3.3.0]OCTA-2,5,7-TRIEN-8-YL)METHYLIDENEAMINO]-4-METHYL-BENZENESULFONAMIDE
CAS Number:
75224-77-0
Molecular Formula:
C13H11ClN4O2S2
Molecular Weight:
354.8350
IUPAC Name:
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C13H11ClN4O2S2/c1-9-2-4-10(5-3-9)22(19,20)17-15-8-11-12(14)16-13-18(11)6-7-21-13/h2-8,17H,1H3
InChI Key:
ZHJYEJIKWPRQCR-UHFFFAOYSA-N
SMILES:
Clc1nc2n(c1C=NNS(=O)(=O)c1ccc(cc1)C)ccs2
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.001g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.827g/mol
Monoisotopic Mass:
354.001g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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