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Chemical ID: 4545514
Chemical ID:
4545514
Name [?]:
2-(4-ethoxyphenyl)imino-5-(1H-indol-3-ylmethylene)thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1)N=C2NC(=O)C(=Cc3c[nH]c4c3cccc4)S2
InChi [?]:
InChI=1/C20H17N3O2S/c1-2-25-15-9-7-14(8-10-15)22-20-23-19(24)18(26-20)11-13-12-21-17-6-4-3-5-16(13)17/h3-12,21H,2H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,23,24,22,25,6,8,5,9,16,18,17,7,4,21,20,15,13,11,19,10,12,14,3,26/E:(7,8)(9,10)/rA:26nCCOCCCCCCNCNCOCCCCNCCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;w15;s16;d17;s18;s19;s17s20;d21;s22;d23;d20s24;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17N3O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7361 |
Area: | 573.973 |
Solvation: | -3.61326 |
Coulombic: | -46.7939 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 363.434 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.5 |
LogP (Chemaxon): | 4.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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