Chemical ID: 4324083

c1cc(ccc1OCC(=O)Nc2ncc(s2)Cc3ccc(c(c3)Cl)Cl)Cl
Chemical ID:
4324083
Name [?]:
2-(4-chlorophenoxy)-N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]-acetamide
SMILES [?]:
c1cc(ccc1OCC(=O)Nc2ncc(s2)Cc3ccc(c(c3)Cl)Cl)Cl
InChi [?]:
InChI=1/C18H13Cl3N2O2S/c19-12-2-4-13(5-3-12)25-10-17(24)23-18-22-9-14(26-18)7-11-1-6-15(20)16(21)8-11/h1-6,8-9H,7,10H2,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:19,2,4,1,5,20,17,23,14,8,18,3,6,15,21,22,9,12,26,25,24,13,11,10,7,16/E:(2,3)(4,5)/rA:26nCCCCCCOCCONCNCCSCCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;d19;s20;d21;d18s22;s22;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13Cl3N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8316
Area:648.379
Solvation:-5.37788
Coulombic:-34.4491
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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