Chemical ID: 4621242

Cc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(cc5)OC(C)C
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

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Descriptor Annotations

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