Chemical ID: 7140814

CCOc1ccc(cc1)N=C2NC(=O)C(=Cc3cccs3)S2
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

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