Chemical ID: 7140731

CCOc1ccccc1N=C2NC(=O)C(=Cc3cn(c4c3cccc4)C)S2
Chemical ID:
7140731
Name [?]:
2-(2-ethoxyphenyl)imino-5-[(1-methylindol-3-yl)methylene]thiazolidin-4-one
SMILES [?]:
CCOc1ccccc1N=C2NC(=O)C(=Cc3cn(c4c3cccc4)C)S2
InChi [?]:
InChI=1/C21H19N3O2S/c1-3-26-18-11-7-5-9-16(18)22-21-23-20(25)19(27-21)12-14-13-24(2)17-10-6-4-8-15(14)17/h4-13H,3H2,1-2H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,26,2,23,7,24,6,22,8,25,5,16,18,17,21,9,20,4,15,13,11,10,12,19,14,3,27/rA:27nCCOCCCCCCNCNCOCCCCNCCCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;w15;s16;d17;s18;s19;s17s20;d21;s22;d23;d20s24;s19;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19N3O2S
All Atoms:46
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.5418
Area:588.52
Solvation:-4.17123
Coulombic:-42.0999
Bond Count [?]
All:30
Single:20
Double:10
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:377.461
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.8
LogP (Chemaxon):5.09

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