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Chemical ID: 7447875
Chemical ID:
7447875
Name [?]:
1-benzyl-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl-hydroxy-methylene)-5-(4-ethoxy-3-methoxy-phenyl)-pyrrolidine-2,3-dione
SMILES [?]:
CCOc1ccc(cc1OC)C2C(=C(c3ccc4c(c3)OCCO4)O)C(=O)C(=O)N2Cc5ccccc5
InChi [?]:
InChI=1/C29H27NO7/c1-3-35-21-11-9-19(15-23(21)34-2)26-25(27(31)20-10-12-22-24(16-20)37-14-13-36-22)28(32)29(33)30(26)17-18-7-5-4-6-8-18/h4-12,15-16,26,31H,3,13-14,17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,35,34,36,33,37,6,16,5,17,23,22,8,20,31,32,7,15,4,18,9,19,13,12,14,26,28,30,25,27,29,10,3,24,21/E:(5,6)(7,8)/rA:37cCCOCCCCCCOCCCCCCCCCCOCCOOCOCONCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s22;s18s23;s14;s13;d26;s26;d28;s12s28;s30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H27NO7 |
All Atoms: | 64 |
Heavy Atoms: | 37 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.48263 |
Area: | 695.414 |
Solvation: | -8.90272 |
Coulombic: | -74.6779 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.87 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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