Chemical ID: 6534911

COc1ccc(cc1OC)C=NN=c2[nH]c(cs2)c3ccc(c(c3)Cl)Cl
Chemical ID:
6534911
Name [?]:
4-(3,4-dichlorophenyl)-N-[(3,4-dimethoxyphenyl)methyleneamino]-3H-thiazol-2-imine
SMILES [?]:
COc1ccc(cc1OC)C=NN=c2[nH]c(cs2)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C18H15Cl2N3O2S/c1-24-16-6-3-11(7-17(16)25-2)9-21-23-18-22-15(10-26-18)12-4-5-13(19)14(20)8-12/h3-10H,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,5,20,21,4,7,24,11,17,6,19,22,23,16,3,8,14,26,25,12,15,13,2,9,18/rA:26nCOCCCCCCOCCNNCNCCSCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;w13;s14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15Cl2N3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2089
Area:621.882
Solvation:-5.33812
Coulombic:-31.6108
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:408.302
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.61
LogP (Chemaxon):4.41

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Descriptor Annotations

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