Chemical ID: 7135050

c1cc(ccc1NC2=NC(=O)C(=Cc3ccc(o3)c4ccc(cc4Cl)Cl)S2)Cl
Chemical ID:
7135050
Name [?]:
2-(4-chlorophenyl)amino-5-[[5-(2,4-dichlorophenyl)-2-furyl]methylene]thiazol-4-one
SMILES [?]:
c1cc(ccc1NC2=NC(=O)C(=Cc3ccc(o3)c4ccc(cc4Cl)Cl)S2)Cl
InChi [?]:
InChI=1/C20H11Cl3N2O2S/c21-11-1-4-13(5-2-11)24-20-25-19(26)18(28-20)10-14-6-8-17(27-14)15-7-3-12(22)9-16(15)23/h1-10H,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:2,4,21,1,5,15,20,16,23,13,3,22,6,14,19,24,17,12,10,8,28,26,25,7,9,11,18,27/E:(1,2)(4,5)/rA:28nCCCCCCNCNCOCCCCCCOCCCCCCClClSCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s24;s22;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H11Cl3N2O2S
All Atoms:39
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.3372
Area:635.064
Solvation:-3.53938
Coulombic:-36.1696
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:449.738
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.87
LogP (Chemaxon):6.15

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Descriptor Annotations

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