Chemical ID: 7145634

Cc1ccc(cc1)C2CC3=Nc4ccccc4N(C(C3C(=O)C2)c5ccco5)C(=O)C6CC6
Chemical ID:
7145634
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2CC3=Nc4ccccc4N(C(C3C(=O)C2)c5ccco5)C(=O)C6CC6
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/h2-11,14,19-20,26-27H,12-13,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,26,13,16,25,3,7,4,6,32,33,27,9,23,2,5,31,8,12,10,17,21,24,20,19,29,11,18,22,30,28/E:(8,9)(10,11)(12,13)/rA:33cCCCCCCCCCCNCCCCCCNCCCOCCCCCOCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s17;s18;s10s19;s20;d21;s8s21;s19;d24;s25;d26;s24s27;s18;d29;s29;s31;s31s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H26N2O3
All Atoms:59
Heavy Atoms:33
Chiral Atoms:3
ZAP Information [?]
Total:10.806
Area:605.857
Solvation:-4.34046
Coulombic:-34.9664
Bond Count [?]
All:38
Single:27
Double:11
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:438.518
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.63
LogP (Chemaxon):6.09

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Descriptor Annotations

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