Chemical ID: 7028595

c1cc(c(cc1Cl)Cl)c2ccc(o2)C(=O)Nc3ncc(s3)Cc4cc(ccc4Cl)Cl
Chemical ID:
7028595
Name [?]:
5-(2,4-dichlorophenyl)-N-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
c1cc(c(cc1Cl)Cl)c2ccc(o2)C(=O)Nc3ncc(s3)Cc4cc(ccc4Cl)Cl
InChi [?]:
InChI=1/C21H12Cl4N2O2S/c22-12-2-4-16(24)11(7-12)8-14-10-26-21(30-14)27-20(28)19-6-5-18(29-19)15-3-1-13(23)9-17(15)25/h1-7,9-10H,8H2,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,26,2,27,10,11,24,22,5,19,23,25,6,20,3,28,4,9,12,14,17,30,7,29,8,18,16,15,13,21/rA:30nCCCCCCClClCCCCOCONCNCCSCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s10;d11;s9s12;s12;d14;s14;s16;d17;s18;d19;s17s20;s20;s22;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:14.56
Area:708.176
Solvation:-3.14444
Coulombic:-38.646
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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