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Chemical ID: 4784629
Chemical ID:
4784629
Name [?]:
2-[5-(4-chlorophenyl)-1-methyl-imidazol-2-yl]sulfanyl-N-(3,5-dichlorophenyl)-acetamide
SMILES [?]:
Cn1c(cnc1SCC(=O)Nc2cc(cc(c2)Cl)Cl)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H14Cl3N3OS/c1-24-16(11-2-4-12(19)5-3-11)9-22-18(24)26-10-17(25)23-15-7-13(20)6-14(21)8-15/h2-9H,10H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,21,25,22,24,15,13,17,4,8,20,23,14,16,12,3,9,6,26,19,18,5,11,2,10,7/E:(2,3)(4,5)(7,8)(13,14)(20,21)/rA:26nCNCCNCSCCONCCCCCCClClCCCCCCCl/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s14;s3;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14Cl3N3OS |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0004 |
Area: | 641.144 |
Solvation: | -3.02816 |
Coulombic: | -34.2924 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 426.747 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.31 |
LogP (Chemaxon): | 5.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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