Chemical ID: 5292967

Cc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCc5ccc(cc5)OC)C
Chemical ID:
5292967
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCc5ccc(cc5)OC)C
InChi [?]:
InChI=1/C28H25NO4/c1-17-4-9-20(10-5-17)25-24-26(30)22-16-18(2)6-13-23(22)33-27(24)28(31)29(25)15-14-19-7-11-21(32-3)12-8-19/h4-13,16,25H,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,32,3,7,15,26,30,4,6,27,29,16,24,23,13,2,14,25,5,28,12,17,9,8,10,19,20,22,11,21,31,18/E:(4,5)(7,8)(9,10)(11,12)/rA:33cCCCCCCCCCCOCCCCCCOCCONCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;d20;s8s20;s22;s23;s24;s25;d26;s27;d28;d25s29;s28;s31;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H25NO4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:12.4457
Area:678.943
Solvation:-4.52794
Coulombic:-44.2639
Bond Count [?]
All:37
Single:25
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:439.502
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.08
LogP (Chemaxon):5.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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