Chemical ID: 4765210

c1ccc(c(c1)Cn2c(=O)c3c(nc[nH]3)n(c2=O)c4ccccc4F)F
Chemical ID:
4765210
Name [?]:
3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione
SMILES [?]:
c1ccc(c(c1)Cn2c(=O)c3c(nc[nH]3)n(c2=O)c4ccccc4F)F
InChi [?]:
InChI=1/C18H12F2N4O2/c19-12-6-2-1-5-11(12)9-23-17(25)15-16(22-10-21-15)24(18(23)26)14-8-4-3-7-13(14)20/h1-8,10H,9H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,22,21,6,3,23,20,7,14,5,4,24,19,11,12,9,17,26,25,15,13,8,16,10,18/rA:26nCCCCCCCNCOCCNCNNCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;d11;s12;d13;s11s14;s12;s8s16;d17;s16;s19;d20;s21;d22;d19s23;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12F2N4O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.08335
Area:497.594
Solvation:-4.35649
Coulombic:-60.5406
Bond Count [?]
All:29
Single:19
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:354.31
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.8
LogP (Chemaxon):3.63

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Descriptor Annotations

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