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115030-32-5 | Acetamide, N-[4-[[3-[4-(phenylmethyl)-1-piperazinyl]propyl]thio]phenyl]-
CAS No: 115030-32-5 Catalog No: AG000FQT MDL No:
Product Description
Catalog Number:
AG000FQT
Chemical Name:
Acetamide, N-[4-[[3-[4-(phenylmethyl)-1-piperazinyl]propyl]thio]phenyl]-
CAS Number:
115030-32-5
Molecular Formula:
C22H29N3OS
Molecular Weight:
383.5502
IUPAC Name:
N-[4-[3-(4-benzylpiperazin-1-yl)propylsulfanyl]phenyl]acetamide
InChI:
InChI=1S/C22H29N3OS/c1-19(26)23-21-8-10-22(11-9-21)27-17-5-12-24-13-15-25(16-14-24)18-20-6-3-2-4-7-20/h2-4,6-11H,5,12-18H2,1H3,(H,23,26)
InChI Key:
YRRXUWBBGMNNRL-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)SCCCN1CCN(CC1)Cc1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.203g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.554g/mol
Monoisotopic Mass:
383.203g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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