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1185170-04-0 | 11-[4-[2-(2-Hydroxyethoxy)ethyl]-1-piperazinyl]dibenzo[b,f][1,4]thiazepin-7-ol S-Oxide
CAS No: 1185170-04-0 Catalog No: AG008W1H MDL No:
Product Description
Catalog Number:
AG008W1H
Chemical Name:
11-[4-[2-(2-Hydroxyethoxy)ethyl]-1-piperazinyl]dibenzo[b,f][1,4]thiazepin-7-ol S-Oxide
CAS Number:
1185170-04-0
IUPAC Name:
6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-11-oxobenzo[b][1,4]benzothiazepin-2-ol
InChI:
InChI=1S/C21H25N3O4S/c25-12-14-28-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)29(27)20-15-16(26)5-6-18(20)22-21/h1-6,15,25-26H,7-14H2
InChI Key:
PUDUSSVBGMRCCM-UHFFFAOYSA-N
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.157g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
415.508g/mol
Monoisotopic Mass:
415.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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