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606110-15-0 | 1H-Azepine,hexahydro-1-[[[1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-1H-benzimidazol-2-yl]thio]acetyl]-(9CI)
CAS No: 606110-15-0 Catalog No: AG00EWM9 MDL No:
Product Description
Catalog Number:
AG00EWM9
Chemical Name:
1H-Azepine,hexahydro-1-[[[1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-1H-benzimidazol-2-yl]thio]acetyl]-(9CI)
CAS Number:
606110-15-0
IUPAC Name:
2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
InChI:
InChI=1S/C23H32N4O2S/c1-18-10-14-26(15-11-18)21(28)16-27-20-9-5-4-8-19(20)24-23(27)30-17-22(29)25-12-6-2-3-7-13-25/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3
InChI Key:
LCAMCJYLIBQGFB-UHFFFAOYSA-N
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.225g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.595g/mol
Monoisotopic Mass:
428.225g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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