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Chemical ID: 7142026
Chemical ID:
7142026
Name [?]:
5-[(5-bromo-2-furyl)methylene]-3-(4-ethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N2C(=O)C(=Cc3ccc(o3)Br)SC2=S
InChi [?]:
InChI=1/C16H12BrNO2S2/c1-2-10-3-5-11(6-4-10)18-15(19)13(22-16(18)21)9-12-7-8-14(17)20-12/h3-9H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,8,5,7,15,16,13,3,6,14,12,17,10,21,19,9,11,18,22,20/E:(3,4)(5,6)/rA:22nCCCCCCCCNCOCCCCCCOBrSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s17;s12;s9s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12BrNO2S2 |
All Atoms: | 34 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.2541 |
Area: | 527.421 |
Solvation: | -2.93139 |
Coulombic: | -25.2027 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.8 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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