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Chemical ID: 4599791
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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