Chemical ID: 5739155

Cc1cccc(c1C)OC(=O)c2cccc(c2)N3C(=O)C4C5c6ccccc6C(C4C3=O)c7c5cccc7
Chemical ID:
5739155
Name [?]:
None
SMILES [?]:
Cc1cccc(c1C)OC(=O)c2cccc(c2)N3C(=O)C4C5c6ccccc6C(C4C3=O)c7c5cccc7
InChi [?]:
InChI=1/C33H25NO4/c1-18-9-7-16-26(19(18)2)38-33(37)20-10-8-11-21(17-20)34-31(35)29-27-22-12-3-4-13-23(22)28(30(29)32(34)36)25-15-6-5-14-24(25)27/h3-17,27-30H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,25,26,36,37,4,14,3,13,15,24,27,35,38,5,17,2,7,12,16,23,28,34,33,6,22,29,21,30,19,31,10,18,20,32,11,9/E:(3,4,5,6)(12,13,14,15)(22,23,24,25)(27,28)(29,30)(31,32)(35,36)/rA:38cCCCCCCCCOCOCCCCCCNCOCCCCCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s28;s21s29;s18s30;d31;s29;s22s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C33H25NO4
All Atoms:38
Heavy Atoms:38
Chiral Atoms:2
ZAP Information [?]
Total:13.6609
Area:695.552
Solvation:-3.72794
Coulombic:-47.0166
Bond Count [?]
All:44
Single:29
Double:15
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:499.556
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.31
LogP (Chemaxon):6.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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