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Chemical ID: 7029082
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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