Chemical ID: 7028869

c1cc(c(cc1c2ccc(o2)C(=O)Nc3ncc(s3)Cc4cc(ccc4Cl)Cl)Cl)Cl
Chemical ID:
7028869
Name [?]:
5-(3,4-dichlorophenyl)-N-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
c1cc(c(cc1c2ccc(o2)C(=O)Nc3ncc(s3)Cc4cc(ccc4Cl)Cl)Cl)Cl
InChi [?]:
InChI=1/C21H12Cl4N2O2S/c22-13-2-4-15(23)12(7-13)8-14-10-26-21(30-14)27-20(28)19-6-5-18(29-19)11-1-3-16(24)17(25)9-11/h1-7,9-10H,8H2,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,24,2,25,8,9,22,20,5,17,6,21,23,18,26,3,4,7,10,12,15,28,27,30,29,16,14,13,11,19/rA:30nCCCCCCCCCCOCONCNCCSCCCCCCCClClClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;d12;s12;s14;d15;s16;d17;s15s18;s18;s20;s21;d22;s23;d24;d21s25;s26;s23;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H12Cl4N2O2S
All Atoms:42
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:14.4551
Area:711.613
Solvation:-3.33521
Coulombic:-38.5742
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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