Chemical ID: 7140464

CCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(o3)c4ccccc4Cl)S2
Chemical ID:
7140464
Name [?]:
5-[[5-(2-chlorophenyl)-2-furyl]methylene]-2-(4-ethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(o3)c4ccccc4Cl)S2
InChi [?]:
InChI=1/C22H17ClN2O2S/c1-2-14-7-9-15(10-8-14)24-22-25-21(26)20(28-22)13-16-11-12-19(27-16)17-5-3-4-6-18(17)23/h3-13H,2H2,1H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,23,24,22,25,4,8,5,7,17,18,15,3,6,16,21,26,19,14,12,10,27,9,11,13,20,28/E:(7,8)(9,10)/rA:28nCCCCCCCCNCNCOCCCCCCOCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s26;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17ClN2O2S
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.5102
Area:603.547
Solvation:-3.57844
Coulombic:-35.8511
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:408.901
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.27
LogP (Chemaxon):6.13

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