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151451-10-4 | Cyclopentanecarboxamide, N-[4-[2-(8-cyclopentyl-1,2,6,9-tetrahydro-2,6-dioxo-1-propyl-3H-purin-3-yl)ethyl]phenyl]-
CAS No: 151451-10-4 Catalog No: AG001NCL MDL No:
Product Description
Catalog Number:
AG001NCL
Chemical Name:
Cyclopentanecarboxamide, N-[4-[2-(8-cyclopentyl-1,2,6,9-tetrahydro-2,6-dioxo-1-propyl-3H-purin-3-yl)ethyl]phenyl]-
CAS Number:
151451-10-4
Molecular Formula:
C27H35N5O3
Molecular Weight:
477.5985
IUPAC Name:
N-[4-[2-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)ethyl]phenyl]cyclopentanecarboxamide
InChI:
InChI=1S/C27H35N5O3/c1-2-16-32-26(34)22-24(30-23(29-22)19-7-3-4-8-19)31(27(32)35)17-15-18-11-13-21(14-12-18)28-25(33)20-9-5-6-10-20/h11-14,19-20H,2-10,15-17H2,1H3,(H,28,33)(H,29,30)
InChI Key:
JQZBHASHUOCKKJ-UHFFFAOYSA-N
SMILES:
CCCn1c(=O)n(CCc2ccc(cc2)NC(=O)C2CCCC2)c2c(c1=O)nc([nH]2)C1CCCC1
Properties
Complexity:
771
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.274g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
477.609g/mol
Monoisotopic Mass:
477.274g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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