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Chemical ID: 7145634
Chemical ID:
7145634
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2CC3=Nc4ccccc4N(C(C3C(=O)C2)c5ccco5)C(=O)C6CC6
InChi [?]:
InChI=1/C28H26N2O3/c1-17-8-10-18(11-9-17)20-15-22-26(24(31)16-20)27(25-7-4-14-33-25)30(28(32)19-12-13-19)23-6-3-2-5-21(23)29-22/h2-11,14,19-20,26-27H,12-13,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,26,13,16,25,3,7,4,6,32,33,27,9,23,2,5,31,8,12,10,17,21,24,20,19,29,11,18,22,30,28/E:(8,9)(10,11)(12,13)/rA:33cCCCCCCCCCCNCCCCCCNCCCOCCCCCOCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s17;s18;s10s19;s20;d21;s8s21;s19;d24;s25;d26;s24s27;s18;d29;s29;s31;s31s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H26N2O3 |
All Atoms: | 59 |
Heavy Atoms: | 33 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.806 |
Area: | 605.857 |
Solvation: | -4.34046 |
Coulombic: | -34.9664 |
Bond Count [?]
All: | 38 |
Single: | 27 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 438.518 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.63 |
LogP (Chemaxon): | 6.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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