Chemical ID: 4648291

CC(C)c1ccc(cc1)C2N3C(CC(=N3)c4ccccc4)c5cccc(c5O2)OC
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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