Chemical ID: 6271935

CCOCCn1c2ccc(cc2sc1=NC(=O)c3cc(nc4c3cccc4)c5cccs5)C
Chemical ID:
6271935
Name [?]:
N-[3-(2-ethoxyethyl)-6-methyl-benzothiazol-2-ylidene]-2-(2-thienyl)quinoline-4-carboxamide
SMILES [?]:
CCOCCn1c2ccc(cc2sc1=NC(=O)c3cc(nc4c3cccc4)c5cccs5)C
InChi [?]:
InChI=1/C26H23N3O2S2/c1-3-31-13-12-29-22-11-10-17(2)15-24(22)33-26(29)28-25(30)19-16-21(23-9-6-14-32-23)27-20-8-5-4-7-18(19)20/h4-11,14-16H,3,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,2,25,26,30,24,27,29,9,8,5,4,31,11,19,10,23,18,22,20,7,28,12,16,14,21,15,6,17,3,32,13/rA:33nCCOCCNCCCCCCSCNCOCCCNCCCCCCCCCCSC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;w14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s20;d28;s29;d30;s28s31;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H23N3O2S2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.7321
Area:668.876
Solvation:-2.98977
Coulombic:-40.804
Bond Count [?]
All:37
Single:25
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:473.612
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.67
LogP (Chemaxon):6.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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