Chemical ID: 6996120

Cc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccco3)S2)CC=C
Chemical ID:
6996120
Name [?]:
3-allyl-5-(2-furylmethylene)-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccco3)S2)CC=C
InChi [?]:
InChI=1/C18H16N2O2S/c1-3-10-20-17(21)16(12-15-5-4-11-22-15)23-18(20)19-14-8-6-13(2)7-9-14/h3-9,11-12H,1,10H2,2H3
InChi Info:
AuxInfo=1/0/N:23,1,22,17,16,3,7,4,6,21,18,14,2,5,15,13,11,9,8,10,12,19,20/E:(6,7)(8,9)/rA:23nCCCCCCCNCNCOCCCCCCOSCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s9s13;s10;s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O2S
All Atoms:39
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.24102
Area:506.88
Solvation:-3.43099
Coulombic:-31.2158
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:324.398
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.99
LogP (Chemaxon):4.75

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