Chemical ID: 4703449

CNC(=O)c1ccc(cc1)c2nc(cs2)c3ccc(c(c3)Cl)Cl
Chemical ID:
4703449
Name [?]:
4-[4-(3,4-dichlorophenyl)thiazol-2-yl]-N-methyl-benzamide
SMILES [?]:
CNC(=O)c1ccc(cc1)c2nc(cs2)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C17H12Cl2N2OS/c1-20-16(22)10-2-4-11(5-3-10)17-21-15(9-23-17)12-6-7-13(18)14(19)8-12/h2-9H,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,6,10,7,9,17,18,21,14,5,8,16,19,20,13,3,11,23,22,2,12,4,15/E:(2,3)(4,5)/rA:23nCNCOCCCCCCCNCCSCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12Cl2N2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.9082
Area:569.849
Solvation:-2.33804
Coulombic:-30.4668
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:363.261
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.04
LogP (Chemaxon):4.71

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Descriptor Annotations

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