Chemical ID: 5840908

Cc1ccc(cc1)C2CC(=C3C(N(c4ccccc4N=C3C2)C(=O)C5CC5)c6ccco6)O
Chemical ID:
5840908
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2CC(=C3C(N(c4ccccc4N=C3C2)C(=O)C5CC5)c6ccco6)O
InChi [?]:
InChI=1/C28H26N2O3/c1-17-8-10-18(11-9-17)20-15-22-26(24(31)16-20)27(25-7-4-14-33-25)30(28(32)19-12-13-19)23-6-3-2-5-21(23)29-22/h2-11,14,19-20,27,31H,12-13,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,30,18,15,29,3,7,4,6,26,27,31,22,9,2,5,25,8,19,21,14,10,28,11,12,23,20,13,33,24,32/E:(8,9)(10,11)(12,13)/rA:33cCCCCCCCCCCCCNCCCCCCNCCCOCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s11d20;s8s21;s13;d23;s23;s25;s25s26;s12;d28;s29;d30;s28s31;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H26N2O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:2
ZAP Information [?]
Total:10.6957
Area:622.197
Solvation:-4.85926
Coulombic:-42.4374
Bond Count [?]
All:38
Single:27
Double:11
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:438.518
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.1
LogP (Chemaxon):4.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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