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Chemical ID: 6147921
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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