Chemical ID: 5672243

COc1ccccc1C=C2C(=O)N=C(N(C2=O)c3ccccc3F)O
Chemical ID:
5672243
Name [?]:
1-(2-fluorophenyl)-2-hydroxy-5-[(2-methoxyphenyl)methylene]pyrimidine-4,6-dione
SMILES [?]:
COc1ccccc1C=C2C(=O)N=C(N(C2=O)c3ccccc3F)O
InChi [?]:
InChI=1/C18H13FN2O4/c1-25-15-9-5-2-6-11(15)10-12-16(22)20-18(24)21(17(12)23)14-8-4-3-7-13(14)19/h2-10H,1H3,(H,20,22,24)
InChi Info:
AuxInfo=1/1/N:1,6,21,20,5,7,22,19,4,9,8,10,23,18,3,11,16,14,24,13,15,12,17,25,2/rA:25nCOCCCCCCCCCONCNCOCCCCCCFO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;d13;s14;s10s15;d16;s15;s18;d19;s20;d21;d18s22;s23;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13FN2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.97933
Area:507.352
Solvation:-4.70447
Coulombic:-61.7894
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:340.305
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.78
LogP (Chemaxon):3.0

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