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Chemical ID: 7142030
Chemical ID:
7142030
Name [?]:
5-[(5-bromo-2-furyl)methylene]-3-(2,4-dimethoxyphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)OC)N2C(=O)C(=Cc3ccc(o3)Br)SC2=S
InChi [?]:
InChI=1/C16H12BrNO4S2/c1-20-9-3-5-11(12(7-9)21-2)18-15(19)13(24-16(18)23)8-10-4-6-14(17)22-10/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,4,17,5,18,8,15,3,16,6,7,14,19,12,23,21,11,13,2,9,20,24,22/rA:24nCOCCCCCCOCNCOCCCCCCOBrSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s12;w14;s15;d16;s17;d18;s16s19;s19;s14;s11s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12BrNO4S2 |
All Atoms: | 36 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.3062 |
Area: | 548.548 |
Solvation: | -5.40749 |
Coulombic: | -37.9116 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.73 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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