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606110-65-0 | 1H-Azepine,hexahydro-1-[[[1-[2-(4-morpholinyl)-2-oxoethyl]-1H-benzimidazol-2-yl]thio]acetyl]-(9CI)
CAS No: 606110-65-0 Catalog No: AG00EWLE MDL No:
Product Description
Catalog Number:
AG00EWLE
Chemical Name:
1H-Azepine,hexahydro-1-[[[1-[2-(4-morpholinyl)-2-oxoethyl]-1H-benzimidazol-2-yl]thio]acetyl]-(9CI)
CAS Number:
606110-65-0
IUPAC Name:
2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone
InChI:
InChI=1S/C21H28N4O3S/c26-19(24-11-13-28-14-12-24)15-25-18-8-4-3-7-17(18)22-21(25)29-16-20(27)23-9-5-1-2-6-10-23/h3-4,7-8H,1-2,5-6,9-16H2
InChI Key:
OCRRXRXFIVZRLZ-UHFFFAOYSA-N
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.188g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.54g/mol
Monoisotopic Mass:
416.188g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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