Chemical ID: 6446108

CCOc1cc(ccc1OC)C=NNc2nc(cs2)c3ccc(cc3Cl)Cl
Chemical ID:
6446108
Name [?]:
4-(2,4-dichlorophenyl)-N-[(3-ethoxy-4-methoxy-phenyl)methyleneamino]thiazol-2-amine
SMILES [?]:
CCOc1cc(ccc1OC)C=NNc2nc(cs2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C19H17Cl2N3O2S/c1-3-26-18-8-12(4-7-17(18)25-2)10-22-24-19-23-16(11-27-19)14-6-5-13(20)9-15(14)21/h4-11H,3H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,11,2,7,22,21,8,5,24,12,18,6,23,20,25,17,9,4,15,27,26,13,16,14,10,3,19/rA:27nCCOCCCCCCOCCNNCNCCSCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;w12;s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17Cl2N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.2187
Area:634.291
Solvation:-5.63854
Coulombic:-31.4862
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:422.329
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.41
LogP (Chemaxon):6.02

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Descriptor Annotations

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