Chemical ID: 6463954

c1ccc(c(c1)c2ccc(o2)C=C3C(=O)NC(=Nc4ccc(cc4)F)S3)Cl
Chemical ID:
6463954
Name [?]:
5-[[5-(2-chlorophenyl)-2-furyl]methylene]-2-(4-fluorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)c2ccc(o2)C=C3C(=O)NC(=Nc4ccc(cc4)F)S3)Cl
InChi [?]:
InChI=1/C20H12ClFN2O2S/c21-16-4-2-1-3-15(16)17-10-9-14(26-17)11-18-19(25)24-20(27-18)23-13-7-5-12(22)6-8-13/h1-11H,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,21,23,20,24,9,8,12,22,19,10,5,4,7,13,14,17,27,25,18,16,15,11,26/E:(5,6)(7,8)/rA:27nCCCCCCCCCCOCCCONCNCCCCCCFSCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;w12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s13s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12ClFN2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.99587
Area:575.905
Solvation:-4.40176
Coulombic:-38.5344
Bond Count [?]
All:30
Single:19
Double:11
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:398.839
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.53
LogP (Chemaxon):5.41

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