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Chemical ID: 7028734
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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