Chemical ID: 7385852

Cc1ccc(cc1Cl)N2C(=O)C(=Cc3ccc(cc3)OC)C(=O)NC2=O
Chemical ID:
7385852
Name [?]:
1-(3-chloro-4-methyl-phenyl)-5-[(4-methoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1ccc(cc1Cl)N2C(=O)C(=Cc3ccc(cc3)OC)C(=O)NC2=O
InChi [?]:
InChI=1/C19H15ClN2O4/c1-11-3-6-13(10-16(11)20)22-18(24)15(17(23)21-19(22)25)9-12-4-7-14(26-2)8-5-12/h3-10H,1-2H3,(H,21,23,25)
InChi Info:
AuxInfo=1/1/N:1,21,3,15,19,4,16,18,13,6,2,14,5,17,12,7,22,10,25,8,24,9,23,11,26,20/E:(4,5)(7,8)/rA:26nCCCCCCCClNCOCCCCCCCCOCCONCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;s12;d22;s22;s9s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15ClN2O4
All Atoms:41
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.47171
Area:554.663
Solvation:-4.39488
Coulombic:-55.6213
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:370.786
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.16
LogP (Chemaxon):3.35

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