Chemical ID: 7029082

c1cc(cc(c1)Cl)Cc2cnc(s2)NC(=O)c3ccc(o3)c4ccc(cc4)Cl
Chemical ID:
7029082
Name [?]:
5-(4-chlorophenyl)-N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)Cc2cnc(s2)NC(=O)c3ccc(o3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H14Cl2N2O2S/c22-15-6-4-14(5-7-15)18-8-9-19(27-18)20(26)25-21-24-12-17(28-21)11-13-2-1-3-16(23)10-13/h1-10,12H,11H2,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,27,24,26,19,18,4,8,10,3,22,25,5,9,20,17,15,12,28,7,11,14,16,21,13/E:(4,5)(6,7)/rA:28nCCCCCCClCCCNCSNCOCCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;d17;s18;d19;s17s20;s20;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14Cl2N2O2S
All Atoms:42
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.4423
Area:663.916
Solvation:-3.15564
Coulombic:-38.6911
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:429.32
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.84
LogP (Chemaxon):5.48

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Descriptor Annotations

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