Chemical ID: 4625977

CC(C)c1ccc(cc1)C2N3C(CC(=N3)c4ccc(cc4)OC)c5ccccc5O2
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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Descriptor Annotations

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