Chemical ID: 6179306

c1ccc(cc1)OCC(=O)Nc2nnc(s2)c3ccc(cc3Cl)Cl
Chemical ID:
6179306
Name [?]:
N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)OCC(=O)Nc2nnc(s2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C16H11Cl2N3O2S/c17-10-6-7-12(13(18)8-10)15-20-21-16(24-15)19-14(22)9-23-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,18,21,8,20,4,17,22,9,15,12,24,23,11,14,13,10,7,16/E:(2,3)(4,5)/rA:24nCCCCCCOCCONCNNCSCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11Cl2N3O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.15333
Area:583.568
Solvation:-5.43586
Coulombic:-33.3233
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:380.249
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.11
LogP (Chemaxon):4.13

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