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Home > Pyridines > 146741-99-3
146741-99-3 | Thiourea, N-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-N'-2-pyridinyl-
CAS No: 146741-99-3 Catalog No: AG001EAD MDL No:
Product Description
Catalog Number:
AG001EAD
Chemical Name:
Thiourea, N-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-N'-2-pyridinyl-
CAS Number:
146741-99-3
Molecular Formula:
C20H26N4S
Molecular Weight:
354.5122
IUPAC Name:
1-[2-(1-benzylpiperidin-4-yl)ethyl]-1-pyridin-2-ylthiourea
InChI:
InChI=1S/C20H26N4S/c21-20(25)24(19-8-4-5-12-22-19)15-11-17-9-13-23(14-10-17)16-18-6-2-1-3-7-18/h1-8,12,17H,9-11,13-16H2,(H2,21,25)
InChI Key:
OGYAELMMQAXUSP-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccn1)NCCC1CCN(CC1)Cc1ccccc1
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.188g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.516g/mol
Monoisotopic Mass:
354.188g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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