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Chemical ID: 7142028
Chemical ID:
7142028
Name [?]:
3-(4-acetylphenyl)-5-[(5-bromo-2-furyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CC(=O)c1ccc(cc1)N2C(=O)C(=Cc3ccc(o3)Br)SC2=S
InChi [?]:
InChI=1/C16H10BrNO3S2/c1-9(19)10-2-4-11(5-3-10)18-15(20)13(23-16(18)22)8-12-6-7-14(17)21-12/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,9,6,8,16,17,14,2,4,7,15,13,18,11,22,20,10,3,12,19,23,21/E:(2,3)(4,5)/rA:23nCCOCCCCCCNCOCCCCCCOBrSCS/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s18;s13;s10s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10BrNO3S2 |
All Atoms: | 33 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.31918 |
Area: | 536.851 |
Solvation: | -4.1021 |
Coulombic: | -31.4107 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.74 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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