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Chemical ID: 5400329
Chemical ID:
5400329
Name [?]:
4-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-[(3-methyl-2-thienyl)methyleneamino]thiazol-2-imine
SMILES [?]:
Cc1ccsc1C=Nn2c(csc2=NCCOC)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C18H17Cl2N3OS2/c1-12-5-8-25-17(12)10-22-23-16(11-26-18(23)21-6-7-24-2)14-4-3-13(19)9-15(14)20/h3-5,8-11H,6-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,21,20,3,15,16,4,23,7,11,2,22,19,24,10,6,13,26,25,14,8,9,17,5,12/rA:26nCCCCSCCNNCCSCNCCOCCCCCCCClCl/rB:s1;s2;d3;s4;d2s5;s6;w7;s8;s9;d10;s11;s9s12;w13;s14;s15;s16;s17;s10;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17Cl2N3OS2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4471 |
Area: | 585.2 |
Solvation: | -4.18291 |
Coulombic: | -21.4328 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 426.385 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.15 |
LogP (Chemaxon): | 5.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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