Chemical ID: 4599791

CCOc1ccc(cc1)C=C2C(=O)NC(=O)N(C2=O)c3ccccc3F
Chemical ID:
4599791
Name [?]:
5-[(4-ethoxyphenyl)methylene]-1-(2-fluorophenyl)-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)NC(=O)N(C2=O)c3ccccc3F
InChi [?]:
InChI=1/C19H15FN2O4/c1-2-26-13-9-7-12(8-10-13)11-14-17(23)21-19(25)22(18(14)24)16-6-4-3-5-15(16)20/h3-11H,2H2,1H3,(H,21,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,23,22,24,21,6,8,5,9,10,7,4,11,25,20,12,18,15,26,14,17,13,19,16,3/E:(7,8)(9,10)/rA:26nCCOCCCCCCCCCONCONCOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s15;s11s17;d18;s17;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15FN2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.51942
Area:536.79
Solvation:-4.90032
Coulombic:-59.6432
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:354.332
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.9
LogP (Chemaxon):2.85

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Descriptor Annotations

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