Chemical ID: 5801393

Cc1ccc(cc1)N=C2NC(=O)C(=Cc3ccco3)S2
Chemical ID:
5801393
Name [?]:
5-(2-furylmethylene)-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N=C2NC(=O)C(=Cc3ccco3)S2
InChi [?]:
InChI=1/C15H12N2O2S/c1-10-4-6-11(7-5-10)16-15-17-14(18)13(20-15)9-12-3-2-8-19-12/h2-9H,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,16,3,7,4,6,18,14,2,5,15,13,11,9,8,10,12,19,20/E:(4,5)(6,7)/rA:20nCCCCCCCNCNCOCCCCCCOS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N2O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.3129
Area:464.71
Solvation:-3.30485
Coulombic:-33.4492
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:284.334
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.23
LogP (Chemaxon):3.77

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Descriptor Annotations

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