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Chemical ID: 7140814
Chemical ID:
7140814
Name [?]:
2-(4-ethoxyphenyl)imino-5-(2-thienylmethylene)thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1)N=C2NC(=O)C(=Cc3cccs3)S2
InChi [?]:
InChI=1/C16H14N2O2S2/c1-2-20-12-7-5-11(6-8-12)17-16-18-15(19)14(22-16)10-13-4-3-9-21-13/h3-10H,2H2,1H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,6,8,5,9,20,16,7,4,17,15,13,11,10,12,14,3,21,22/E:(5,6)(7,8)/rA:22nCCOCCCCCCNCNCOCCCCCCSS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;w15;s16;d17;s18;d19;s17s20;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O2S2 |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.54083 |
Area: | 519.299 |
Solvation: | -3.44165 |
Coulombic: | -35.8153 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 330.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.46 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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