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Chemical ID: 7142976
Chemical ID:
7142976
Name [?]:
5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylene]-2-(2,4-dimethoxyphenyl)amino-thiazol-4-one
SMILES [?]:
COc1ccc(c(c1)OC)NC2=NC(=O)C(=Cc3ccccc3OCc4ccc(cc4)Cl)S2
InChi [?]:
InChI=1/C25H21ClN2O4S/c1-30-19-11-12-20(22(14-19)31-2)27-25-28-24(29)23(33-25)13-17-5-3-4-6-21(17)32-15-16-7-9-18(26)10-8-16/h3-14H,15H2,1-2H3,(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,10,20,21,19,22,27,31,28,30,4,5,17,8,25,26,18,29,3,6,23,7,16,14,12,32,11,13,15,2,9,24,33/E:(7,8)(9,10)/rA:33nCOCCCCCCOCNCNCOCCCCCCCCOCCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;s24;s25;s26;d27;s28;d29;d26s30;s29;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H21ClN2O4S |
All Atoms: | 54 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.7605 |
Area: | 726.773 |
Solvation: | -5.4088 |
Coulombic: | -53.6735 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.43 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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