Chemical ID: 4784629

Cn1c(cnc1SCC(=O)Nc2cc(cc(c2)Cl)Cl)c3ccc(cc3)Cl
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

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Descriptor Annotations

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