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205683-24-5 | 3-Thiomorpholinone, 2-[[2-(4-methyl-1-piperazinyl)phenyl]methylene]-
CAS No: 205683-24-5 Catalog No: AG002A9Q MDL No:
Product Description
Catalog Number:
AG002A9Q
Chemical Name:
3-Thiomorpholinone, 2-[[2-(4-methyl-1-piperazinyl)phenyl]methylene]-
CAS Number:
205683-24-5
Molecular Formula:
C16H21N3OS
Molecular Weight:
303.4224
IUPAC Name:
2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one
InChI:
InChI=1S/C16H21N3OS/c1-18-7-9-19(10-8-18)14-5-3-2-4-13(14)12-15-16(20)17-6-11-21-15/h2-5,12H,6-11H2,1H3,(H,17,20)
InChI Key:
HWEYWXTUEQAQPH-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccccc1C=C1SCCNC1=O
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.424g/mol
Monoisotopic Mass:
303.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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