Chemical ID: 7028734

c1cc(c(cc1Cl)Cl)Cc2cnc(s2)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl
Chemical ID:
7028734
Name [?]:
5-(2,5-dichlorophenyl)-N-[5-[(2,4-dichlorophenyl)methyl]thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
c1cc(c(cc1Cl)Cl)Cc2cnc(s2)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl
InChi [?]:
InChI=1/C21H12Cl4N2O2S/c22-12-3-4-16(24)15(8-12)18-5-6-19(29-18)20(28)27-21-26-10-14(30-21)7-11-1-2-13(23)9-17(11)25/h1-6,8-10H,7H2,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:2,1,26,27,20,19,9,24,5,11,3,25,6,10,23,28,4,21,18,16,13,30,7,29,8,12,15,17,22,14/rA:30nCCCCCCClClCCCNCSNCOCCCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;d18;s19;d20;s18s21;s21;s23;d24;s25;d26;d23s27;s28;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H12Cl4N2O2S
All Atoms:42
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:14.4716
Area:706.938
Solvation:-3.20182
Coulombic:-38.4495
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:498.209
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.09
LogP (Chemaxon):6.51

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Descriptor Annotations

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