Chemical ID: 5817707

COc1cc(ccc1OCc2ccc(cc2)F)C=C3C(=O)NC(=O)NC3=O
Chemical ID:
5817707
Name [?]:
5-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methylene]hexahydropyrimidine-2,4,6-trione
SMILES [?]:
COc1cc(ccc1OCc2ccc(cc2)F)C=C3C(=O)NC(=O)NC3=O
InChi [?]:
InChI=1/C19H15FN2O5/c1-26-16-9-12(8-14-17(23)21-19(25)22-18(14)24)4-7-15(16)27-10-11-2-5-13(20)6-3-11/h2-9H,10H2,1H3,(H2,21,22,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,12,16,6,13,15,7,18,4,10,11,5,14,19,8,3,20,26,23,17,22,25,21,27,24,2,9/E:(2,3)(5,6)(17,18)(21,22)(23,24)/rA:27nCOCCCCCCOCCCCCCCFCCCONCONCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s5;d18;s19;d20;s20;s22;d23;s23;s19s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15FN2O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:6.68051
Area:564.027
Solvation:-7.42016
Coulombic:-69.5343
Bond Count [?]
All:29
Single:19
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:370.331
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.12
LogP (Chemaxon):2.1

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue