Chemical ID: 6157977

CCc1c(nc(s1)NC(=O)COc2ccc(cc2Cl)Cl)c3ccccc3
Chemical ID:
6157977
Name [?]:
2-(2,4-dichlorophenoxy)-N-(5-ethyl-4-phenyl-thiazol-2-yl)-acetamide
SMILES [?]:
CCc1c(nc(s1)NC(=O)COc2ccc(cc2Cl)Cl)c3ccccc3
InChi [?]:
InChI=1/C19H16Cl2N2O2S/c1-2-16-18(12-6-4-3-5-7-12)23-19(26-16)22-17(24)11-25-15-9-8-13(20)10-14(15)21/h3-10H,2,11H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,24,23,25,22,26,15,14,17,11,21,16,18,13,3,9,4,6,20,19,8,5,10,12,7/E:(4,5)(6,7)/rA:26nCCCCNCSNCOCOCCCCCCClClCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;s4;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16Cl2N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2746
Area:622.524
Solvation:-5.28848
Coulombic:-35.1105
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:407.314
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.86
LogP (Chemaxon):5.72

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