Chemical ID: 6147921

CCOc1ccc(cc1OCC)C=NNc2nc(cs2)c3ccc(cc3Cl)Cl
Chemical ID:
6147921
Name [?]:
4-(2,4-dichlorophenyl)-N-[(3,4-diethoxyphenyl)methyleneamino]thiazol-2-amine
SMILES [?]:
CCOc1ccc(cc1OCC)C=NNc2nc(cs2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C20H19Cl2N3O2S/c1-3-26-18-8-5-13(9-19(18)27-4-2)11-23-25-20-24-17(12-28-20)15-7-6-14(21)10-16(15)22/h5-12H,3-4H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,6,23,22,5,8,25,13,19,7,24,21,26,18,4,9,16,28,27,14,17,15,3,10,20/rA:28nCCOCCCCCCOCCCNNCNCCSCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;w13;s14;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19Cl2N3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.9862
Area:660.882
Solvation:-5.53586
Coulombic:-31.7445
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:436.355
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.83
LogP (Chemaxon):6.36

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