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Chemical ID: 4702117
Chemical ID:
4702117
Name [?]:
None
SMILES [?]:
CC(C)NC(=O)c1ccc(cc1)N2C(=O)C3C4c5ccccc5C(C3C2=O)c6c4cccc6
InChi [?]:
InChI=1/C28H24N2O3/c1-15(2)29-26(31)16-11-13-17(14-12-16)30-27(32)24-22-18-7-3-4-8-19(18)23(25(24)28(30)33)21-10-6-5-9-20(21)22/h3-15,22-25H,1-2H3,(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,3,20,21,31,32,19,22,30,33,8,12,9,11,2,7,10,18,23,29,28,17,24,16,25,5,14,26,4,13,6,15,27/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(18,19,20,21)(22,23)(24,25)(27,28)(32,33)/rA:33cCCCNCOCCCCCCNCOCCCCCCCCCCCOCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s16s24;s13s25;d26;s24;s17s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H24N2O3 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.6402 |
Area: | 627.862 |
Solvation: | -4.0564 |
Coulombic: | -47.6208 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 436.502 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.44 |
LogP (Chemaxon): | 3.86 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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