Chemical ID: 7141410

c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(o3)c4c(cccc4Cl)Cl)S2)Cl
Chemical ID:
7141410
Name [?]:
2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)-2-furyl]methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(o3)c4c(cccc4Cl)Cl)S2)Cl
InChi [?]:
InChI=1/C20H11Cl3N2O2S/c21-12-4-1-2-7-15(12)24-20-25-19(26)17(28-20)10-11-8-9-16(27-11)18-13(22)5-3-6-14(18)23/h1-10H,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:2,1,22,3,21,23,6,15,16,13,14,4,20,24,5,17,12,19,10,8,28,26,25,7,9,11,18,27/E:(5,6)(13,14)(22,23)/rA:28nCCCCCCNCNCOCCCCCCOCCCCCCClClSCl/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:C20H11Cl3N2O2S
All Atoms:39
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.9021
Area:620.796
Solvation:-3.61784
Coulombic:-36.2527
Bond Count [?]
All:31
Single:20
Double:11
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:449.738
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.61
LogP (Chemaxon):6.3

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Descriptor Annotations

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