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20229-30-5 | Piperazine, 1-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-methyl-
CAS No: 20229-30-5 Catalog No: AG00286C MDL No:MFCD00600246
Product Description
Catalog Number:
AG00286C
Chemical Name:
Piperazine, 1-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-methyl-
CAS Number:
20229-30-5
Molecular Formula:
C20H24N2S2
Molecular Weight:
356.5480
MDL Number:
MFCD00600246
IUPAC Name:
1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
InChI:
InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
InChI Key:
RLJFTICUTYVZDG-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.138g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.546g/mol
Monoisotopic Mass:
356.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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