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Chemical ID: 4346875
Chemical ID:
4346875
Name [?]:
2-(2,3-dichlorophenyl)amino-5-[(2,4-dimethoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
COc1ccc(c(c1)OC)C=C2C(=O)N=C(S2)Nc3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C18H14Cl2N2O3S/c1-24-11-7-6-10(14(9-11)25-2)8-15-17(23)22-18(26-15)21-13-5-3-4-12(19)16(13)20/h3-9H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,21,22,20,5,4,11,8,6,3,23,19,7,12,24,13,16,26,25,18,15,14,2,9,17/rA:26nCOCCCCCCOCCCCONCSNCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14Cl2N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1501 |
Area: | 596.187 |
Solvation: | -3.75457 |
Coulombic: | -45.1141 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 409.287 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.43 |
LogP (Chemaxon): | 4.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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