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606082-78-4 | 1H-Azepine,1-[[4-[[4-(2-benzothiazolyl)-1-piperidinyl]sulfonyl]phenyl]sulfonyl]hexahydro-(9CI)
CAS No: 606082-78-4 Catalog No: AG00EWM2 MDL No:
Product Description
Catalog Number:
AG00EWM2
Chemical Name:
1H-Azepine,1-[[4-[[4-(2-benzothiazolyl)-1-piperidinyl]sulfonyl]phenyl]sulfonyl]hexahydro-(9CI)
CAS Number:
606082-78-4
IUPAC Name:
2-[1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole
InChI:
InChI=1S/C24H29N3O4S3/c28-33(29,26-15-5-1-2-6-16-26)20-9-11-21(12-10-20)34(30,31)27-17-13-19(14-18-27)24-25-22-7-3-4-8-23(22)32-24/h3-4,7-12,19H,1-2,5-6,13-18H2
InChI Key:
IKQFMEGVQGMPOP-UHFFFAOYSA-N
Properties
Complexity:
877
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
519.132g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
519.693g/mol
Monoisotopic Mass:
519.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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