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Home > Pyridines > 189573-10-2
189573-10-2 | Propanamide, 3,3'-dithiobis[N-(4-pyridinylmethyl)- (9CI)
CAS No: 189573-10-2 Catalog No: AG002DR9 MDL No:
Product Description
Catalog Number:
AG002DR9
Chemical Name:
Propanamide, 3,3'-dithiobis[N-(4-pyridinylmethyl)- (9CI)
CAS Number:
189573-10-2
Molecular Formula:
C18H22N4O2S2
Molecular Weight:
390.5229
IUPAC Name:
3-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]disulfanyl]-N-(pyridin-4-ylmethyl)propanamide
InChI:
InChI=1S/C18H22N4O2S2/c23-17(21-13-15-1-7-19-8-2-15)5-11-25-26-12-6-18(24)22-14-16-3-9-20-10-4-16/h1-4,7-10H,5-6,11-14H2,(H,21,23)(H,22,24)
InChI Key:
JSXUHHHKMGTEMT-UHFFFAOYSA-N
SMILES:
O=C(NCc1ccncc1)CCSSCCC(=O)NCc1ccncc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.118g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
390.52g/mol
Monoisotopic Mass:
390.118g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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