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Chemical ID: 4625977
Chemical ID:
4625977
Name [?]:
None
SMILES [?]:
CC(C)c1ccc(cc1)C2N3C(CC(=N3)c4ccc(cc4)OC)c5ccccc5O2
InChi [?]:
InChI=1/C26H26N2O2/c1-17(2)18-8-10-20(11-9-18)26-28-24(22-6-4-5-7-25(22)30-26)16-23(27-28)19-12-14-21(29-3)15-13-19/h4-15,17,24,26H,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,23,26,27,25,28,5,9,6,8,17,21,18,20,13,2,4,16,7,19,24,14,12,29,10,15,11,22,30/E:(1,2)(8,9)(10,11)(12,13)(14,15)/rA:30cCCCCCCCCCCNCCCNCCCCCCOCCCCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s11d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s12;s24;d25;s26;d27;d24s28;s10s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26N2O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.1706 |
Area: | 625.543 |
Solvation: | -4.46796 |
Coulombic: | -24.1806 |
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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