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Chemical ID: 7513858
Chemical ID:
7513858
Name [?]:
2-(3-chloro-4-methyl-phenyl)amino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
Cc1ccc(cc1Cl)NC2=NC(=O)C(=Cc3cc(c(c(c3)OC)OC)OC)S2
InChi [?]:
InChI=1/C20H19ClN2O4S/c1-11-5-6-13(10-14(11)21)22-20-23-19(24)17(28-20)9-12-7-15(25-2)18(27-4)16(8-12)26-3/h5-10H,1-4H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,23,27,25,3,4,21,17,15,6,2,16,5,7,20,18,14,19,12,10,8,9,11,13,22,26,24,28/E:(2,3)(7,8)(15,16)(25,26)/rA:28nCCCCCCCClNCNCOCCCCCCCCOCOCOCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s18;s26;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19ClN2O4S |
All Atoms: | 47 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.98136 |
Area: | 617.87 |
Solvation: | -6.46539 |
Coulombic: | -50.6261 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.54 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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