Chemical ID: 5353885

CCc1ccc(cc1)C(=O)COC(=O)c2c3ccccc3nc4c2CCCC4=Cc5ccco5
Chemical ID:
5353885
Name [?]:
[2-(4-ethylphenyl)-2-oxo-ethyl] 4-(2-furylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate
SMILES [?]:
CCc1ccc(cc1)C(=O)COC(=O)c2c3ccccc3nc4c2CCCC4=Cc5ccco5
InChi [?]:
InChI=1/C29H25NO4/c1-2-19-12-14-20(15-13-19)26(31)18-34-29(32)27-23-9-3-4-11-25(23)30-28-21(7-5-10-24(27)28)17-22-8-6-16-33-22/h3-4,6,8-9,11-17H,2,5,7,10,18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,19,26,32,27,31,17,25,20,4,8,5,7,33,29,11,3,6,28,30,16,24,21,9,15,23,13,22,10,14,34,12/E:(12,13)(14,15)/rA:34nCCCCCCCCCOCOCOCCCCCCCNCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;d22;d15s23;s24;s25;s26;s23s27;w28;s29;d30;s31;d32;s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H25NO4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.7789
Area:679.411
Solvation:-5.20633
Coulombic:-40.2843
Bond Count [?]
All:38
Single:25
Double:13
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:451.513
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.68
LogP (Chemaxon):5.69

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