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Chemical ID: 7460725
Chemical ID:
7460725
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCc4ccc(cc4)OC)c5ccc(cc5)N(=O)=O
InChi [?]:
InChI=1/C28H24N2O6/c1-16-14-22-23(15-17(16)2)36-27-24(26(22)31)25(19-6-8-20(9-7-19)30(33)34)29(28(27)32)13-12-18-4-10-21(35-3)11-5-18/h4-11,14-15,25H,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,27,21,25,29,33,30,32,22,24,19,18,3,6,2,7,20,28,31,23,4,5,11,14,12,10,16,15,34,13,17,35,36,26,9/E:(4,5)(6,7)(8,9)(10,11)(33,34)/CRV:30.5/rA:36cCCCCCCCCOCCCOCNCOCCCCCCCCOCCCCCCCNOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;s19;s20;d21;s22;d23;d20s24;s23;s26;s14;s28;d29;s30;d31;d28s32;s31;d34;d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H24N2O6 |
All Atoms: | 60 |
Heavy Atoms: | 36 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.4528 |
Area: | 708.9 |
Solvation: | -10.2697 |
Coulombic: | -54.5951 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.97 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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