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88090-85-1 | 1-Piperidinecarboxamide, N-[4-(1H-purin-6-ylthio)butyl]-
CAS No: 88090-85-1 Catalog No: AG004EK7 MDL No:
Product Description
Catalog Number:
AG004EK7
Chemical Name:
1-Piperidinecarboxamide, N-[4-(1H-purin-6-ylthio)butyl]-
CAS Number:
88090-85-1
Molecular Formula:
C15H22N6OS
Molecular Weight:
334.4398
IUPAC Name:
N-[4-(7H-purin-6-ylsulfanyl)butyl]piperidine-1-carboxamide
InChI:
InChI=1S/C15H22N6OS/c22-15(21-7-3-1-4-8-21)16-6-2-5-9-23-14-12-13(18-10-17-12)19-11-20-14/h10-11H,1-9H2,(H,16,22)(H,17,18,19,20)
InChI Key:
NSDJSBFNHMHBSH-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)NCCCCSc1[nH]cnc2c1ncn2
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.442g/mol
Monoisotopic Mass:
334.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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