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Chemical ID: 7141270
Chemical ID:
7141270
Name [?]:
2-(2,4-dimethoxyphenyl)imino-5-(1-naphthylmethylene)thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)OC)N=C2NC(=O)C(=Cc3cccc4c3cccc4)S2
InChi [?]:
InChI=1/C22H18N2O3S/c1-26-16-10-11-18(19(13-16)27-2)23-22-24-21(25)20(28-22)12-15-8-5-7-14-6-3-4-9-17(14)15/h3-13H,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,10,26,25,20,27,21,19,24,4,5,17,8,22,18,3,23,6,7,16,14,12,11,13,15,2,9,28/rA:28nCOCCCCCCOCNCNCOCCCCCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N2O3S |
All Atoms: | 46 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.79204 |
Area: | 592.402 |
Solvation: | -5.01801 |
Coulombic: | -43.9251 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 390.456 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.19 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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