Chemical ID: 4535791

Cc1c(c(c2ccccc2n1)C(=O)OCC(=O)c3ccccc3)C(=O)OCC(=O)c4ccccc4
Chemical ID:
4535791
Name [?]:
diphenacyl 2-methylquinoline-3,4-dicarboxylate
SMILES [?]:
Cc1c(c(c2ccccc2n1)C(=O)OCC(=O)c3ccccc3)C(=O)OCC(=O)c4ccccc4
InChi [?]:
InChI=1/C28H21NO6/c1-18-25(27(32)34-16-23(30)19-10-4-2-5-11-19)26(21-14-8-9-15-22(21)29-18)28(33)35-17-24(31)20-12-6-3-7-13-20/h2-15H,16-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,33,21,32,34,20,22,7,8,31,35,19,23,6,9,27,15,2,30,18,5,10,28,16,3,4,24,12,11,29,17,25,13,26,14/E:(4,5)(6,7)(10,11)(12,13)/rA:35nCCCCCCCCCCNCOOCCOCCCCCCCOOCCOCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s4;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s3;d24;s24;s26;s27;d28;s28;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H21NO6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:11.4811
Area:716.936
Solvation:-6.44229
Coulombic:-61.0305
Bond Count [?]
All:38
Single:23
Double:15
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:467.469
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.96
LogP (Chemaxon):3.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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