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Chemical ID: 7143272
Chemical ID:
7143272
Name [?]:
5-[(3-bromophenyl)methylene]-2-(2,4-dimethoxyphenyl)amino-thiazol-4-one
SMILES [?]:
COc1ccc(c(c1)OC)NC2=NC(=O)C(=Cc3cccc(c3)Br)S2
InChi [?]:
InChI=1/C18H15BrN2O3S/c1-23-13-6-7-14(15(10-13)24-2)20-18-21-17(22)16(25-18)9-11-4-3-5-12(19)8-11/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,20,19,21,4,5,23,17,8,18,22,3,6,7,16,14,12,24,11,13,15,2,9,25/rA:25nCOCCCCCCOCNCNCOCCCCCCCCBrS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15BrN2O3S |
All Atoms: | 40 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.4828 |
Area: | 573.192 |
Solvation: | -3.84697 |
Coulombic: | -44.6757 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.98 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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