Chemical ID: 7141408

c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(o3)c4c(cccc4Cl)Cl)S2)F
Chemical ID:
7141408
Name [?]:
5-[[5-(2,6-dichlorophenyl)-2-furyl]methylene]-2-(2-fluorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(o3)c4c(cccc4Cl)Cl)S2)F
InChi [?]:
InChI=1/C20H11Cl2FN2O2S/c21-12-4-3-5-13(22)18(12)16-9-8-11(27-16)10-17-19(26)25-20(28-17)24-15-7-2-1-6-14(15)23/h1-10H,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:2,1,22,21,23,3,6,15,16,13,14,20,24,4,5,17,12,19,10,8,26,25,28,7,9,11,18,27/E:(4,5)(12,13)(21,22)/rA:28nCCCCCCNCNCOCCCCCCOCCCCCCClClSF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s24;s20;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H11Cl2FN2O2S
All Atoms:39
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.4
Area:596.826
Solvation:-4.52061
Coulombic:-39.352
Bond Count [?]
All:31
Single:20
Double:11
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:433.283
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.15
LogP (Chemaxon):5.92

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Descriptor Annotations

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