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Chemical ID: 4621242
Chemical ID:
4621242
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(cc5)OC(C)C
InChi [?]:
InChI=1/C26H26N2O2/c1-17(2)29-21-14-12-20(13-15-21)26-28-24(22-6-4-5-7-25(22)30-26)16-23(27-28)19-10-8-18(3)9-11-19/h4-15,17,24,26H,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:29,30,1,15,16,14,17,3,7,4,6,22,26,23,25,12,28,2,5,21,24,13,8,11,18,20,9,10,27,19/E:(1,2)(8,9)(10,11)(12,13)(14,15)/rA:30cCCCCCCCCNNCCCCCCCCOCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8s11;s11;s13;d14;s15;d16;d13s17;s18;s10s19;s20;s21;d22;s23;d24;d21s25;s24;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26N2O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.5029 |
Area: | 626.777 |
Solvation: | -4.16651 |
Coulombic: | -24.2561 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 398.497 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.65 |
LogP (Chemaxon): | 6.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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