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Chemical ID: 6446108
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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