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Chemical ID: 4648291
Chemical ID:
4648291
Name [?]:
None
SMILES [?]:
CC(C)c1ccc(cc1)C2N3C(CC(=N3)c4ccccc4)c5cccc(c5O2)OC
InChi [?]:
InChI=1/C26H26N2O2/c1-17(2)18-12-14-20(15-13-18)26-28-23(16-22(27-28)19-8-5-4-6-9-19)21-10-7-11-24(29-3)25(21)30-26/h4-15,17,23,26H,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,30,19,18,20,24,17,21,23,25,5,9,6,8,13,2,4,16,7,22,14,12,26,27,10,15,11,29,28/E:(1,2)(5,6)(8,9)(12,13)(14,15)/rA:30cCCCCCCCCCCNCCCNCCCCCCCCCCCCOOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s11d14;s14;s16;d17;s18;d19;d16s20;s12;s22;d23;s24;d25;d22s26;s10s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26N2O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.182 |
Area: | 622.676 |
Solvation: | -5.38489 |
Coulombic: | -24.0438 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 398.497 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.73 |
LogP (Chemaxon): | 6.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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