Chemical ID: 7446486

CCOCCn1c2c(nc1N3CC(CC(C3)C)C)n(c(=O)nc2O)C
Chemical ID:
7446486
Name [?]:
8-(3,5-dimethyl-1-piperidyl)-7-(2-ethoxyethyl)-6-hydroxy-3-methyl-purin-2-one
SMILES [?]:
CCOCCn1c2c(nc1N3CC(CC(C3)C)C)n(c(=O)nc2O)C
InChi [?]:
InChI=1/C17H27N5O3/c1-5-25-7-6-22-13-14(20(4)17(24)19-15(13)23)18-16(22)21-9-11(2)8-12(3)10-21/h11-12H,5-10H2,1-4H3,(H,19,23,24)
InChi Info:
AuxInfo=1/1/N:1,17,18,25,2,5,4,14,16,12,15,13,7,8,23,10,20,9,22,19,11,6,24,21,3/E:(2,3)(9,10)(11,12)/rA:25cCCOCCNCCNCNCCCCCCCNCONCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s6d9;s10;s11;s12;s13;s14;s11s15;s15;s13;s8;s19;d20;s20;s7d22;s23;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27N5O3
All Atoms:52
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:10.6853
Area:560.422
Solvation:-3.32521
Coulombic:-70.6394
Bond Count [?]
All:27
Single:23
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:349.428
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.74
LogP (Chemaxon):3.92

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Descriptor Annotations

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