Chemical ID: 5178721

Cc1ccc(cc1NC(=O)CN2c3cccc4c3c(ccc4)C2=O)C(=O)OC
Chemical ID:
5178721
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1NC(=O)CN2c3cccc4c3c(ccc4)C2=O)C(=O)OC
InChi [?]:
InChI=1/C22H18N2O4/c1-13-9-10-15(22(27)28-2)11-17(13)23-19(25)12-24-18-8-4-6-14-5-3-7-16(20(14)18)21(24)26/h3-11H,12H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,28,21,15,22,16,20,14,3,4,6,11,2,17,5,19,7,13,9,18,23,25,8,12,10,24,26,27/rA:28nCCCCCCCNCOCNCCCCCCCCCCCOCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;s12s19;d23;s5;d25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.1431
Area:581.247
Solvation:-4.38802
Coulombic:-57.4147
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:374.389
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.28
LogP (Chemaxon):2.27

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