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Chemical ID: 4839241
Chemical ID:
4839241
Name [?]:
3-allyl-5-(2-furylmethylene)-2-thiazol-2-ylimino-thiazolidin-4-one
SMILES [?]:
C=CCN1C(=O)C(=Cc2ccco2)SC1=Nc3nccs3
InChi [?]:
InChI=1/C14H11N3O2S2/c1-2-6-17-12(18)11(9-10-4-3-7-19-10)21-14(17)16-13-15-5-8-20-13/h2-5,7-9H,1,6H2
InChi Info:
AuxInfo=1/0/N:1,2,11,10,19,3,12,20,8,9,7,5,17,15,18,16,4,6,13,21,14/rA:21nCCCNCOCCCCCCOSCNCNCCS/rB:d1;s2;s3;s4;d5;s5;w7;s8;d9;s10;d11;s9s12;s7;s4s14;w15;s16;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11N3O2S2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.1385 |
Area: | 471.048 |
Solvation: | -3.6377 |
Coulombic: | -36.1344 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 317.388 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.12 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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