Chemical ID: 5273625

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)Cc4ccco4)c5cc(c(c(c5)OC)OC)OC
Chemical ID:
5273625
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)Cc4ccco4)c5cc(c(c(c5)OC)OC)OC
InChi [?]:
InChI=1/C27H25NO7/c1-14-9-18-19(10-15(14)2)35-26-22(24(18)29)23(28(27(26)30)13-17-7-6-8-34-17)16-11-20(31-3)25(33-5)21(12-16)32-4/h6-12,23H,13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,31,35,33,21,20,22,3,6,29,25,18,2,7,24,19,4,5,28,26,11,14,12,27,10,16,15,13,17,30,34,32,23,9/E:(3,4)(11,12)(20,21)(31,32)/rA:35cCCCCCCCCOCCCOCNCOCCCCCOCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;d19;s20;d21;s19s22;s14;s24;d25;s26;d27;d24s28;s28;s30;s27;s32;s26;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H25NO7
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:7.76909
Area:642.983
Solvation:-8.30548
Coulombic:-62.2392
Bond Count [?]
All:39
Single:28
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:475.49
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.04
LogP (Chemaxon):3.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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