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Chemical ID: 7028735
Chemical ID:
7028735
Name [?]:
5-(2,5-dichlorophenyl)-N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
c1cc(c(cc1Cc2cnc(s2)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl)Cl)Cl
InChi [?]:
InChI=1/C21H12Cl4N2O2S/c22-12-2-4-15(23)14(9-12)18-5-6-19(29-18)20(28)27-21-26-10-13(30-21)7-11-1-3-16(24)17(25)8-11/h1-6,8-10H,7H2,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,24,2,25,18,17,7,5,22,9,6,23,8,21,26,3,4,19,16,14,11,28,27,30,29,10,13,15,20,12/rA:30nCCCCCCCCCNCSNCOCCCCOCCCCCCClClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;d16;s17;d18;s16s19;s19;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: | 14.459 |
Area: | 714.918 |
Solvation: | -3.41396 |
Coulombic: | -38.432 |
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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