Chemical ID: 5253747

CC(=O)Oc1ccc(cc1)OCCn2cnc3c2c(=O)n(c(=O)n3C)C
Chemical ID:
5253747
Name [?]:
[4-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethoxy]phenyl] acetate
SMILES [?]:
CC(=O)Oc1ccc(cc1)OCCn2cnc3c2c(=O)n(c(=O)n3C)C
InChi [?]:
InChI=1/C17H18N4O5/c1-11(22)26-13-6-4-12(5-7-13)25-9-8-21-10-18-15-14(21)16(23)20(3)17(24)19(15)2/h4-7,10H,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,26,7,9,6,10,13,12,15,2,8,5,18,17,19,22,16,24,21,14,3,20,23,11,4/E:(4,5)(6,7)/rA:26nCCOOCCCCCCOCCNCNCCCONCONCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;d15;s16;s14d17;s18;d19;s19;s21;d22;s17s22;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N4O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.6036
Area:565.076
Solvation:-4.52329
Coulombic:-71.8809
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:358.349
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.02
LogP (Chemaxon):1.53

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Descriptor Annotations

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