Chemical ID: 4324037

c1cc(c(c(c1)Cl)Cl)Cc2cnc(s2)NC(=O)COc3ccc(cc3)Cl
Chemical ID:
4324037
Name [?]:
2-(4-chlorophenoxy)-N-[5-[(2,3-dichlorophenyl)methyl]thiazol-2-yl]-acetamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)Cc2cnc(s2)NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H13Cl3N2O2S/c19-12-4-6-13(7-5-12)25-10-16(24)23-18-22-9-14(26-18)8-11-2-1-3-15(20)17(11)21/h1-7,9H,8,10H2,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,24,21,25,9,11,18,3,23,20,10,5,16,4,13,26,7,8,12,15,17,19,14/E:(4,5)(6,7)/rA:26nCCCCCCClClCCCNCSNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13Cl3N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.5161
Area:630.589
Solvation:-5.24859
Coulombic:-34.6223
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:427.732
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.49
LogP (Chemaxon):5.37

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Descriptor Annotations

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