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Chemical ID: 7143264
Chemical ID:
7143264
Name [?]:
5-[(2,4-dichlorophenyl)methylene]-2-(2,4-dimethoxyphenyl)amino-thiazol-4-one
SMILES [?]:
COc1ccc(c(c1)OC)NC2=NC(=O)C(=Cc3ccc(cc3Cl)Cl)S2
InChi [?]:
InChI=1/C18H14Cl2N2O3S/c1-24-12-5-6-14(15(9-12)25-2)21-18-22-17(23)16(26-18)7-10-3-4-11(19)8-13(10)20/h3-9H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,19,20,4,5,17,22,8,18,21,3,23,6,7,16,14,12,25,24,11,13,15,2,9,26/rA:26nCOCCCCCCOCNCNCOCCCCCCCCClClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14Cl2N2O3S |
All Atoms: | 40 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.3709 |
Area: | 611.018 |
Solvation: | -3.90458 |
Coulombic: | -44.9431 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.43 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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