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Chemical ID: 7142115
Chemical ID:
7142115
Name [?]:
3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CC(=O)c1ccc(cc1)N2C(=O)C(=Cc3ccccc3F)SC2=S
InChi [?]:
InChI=1/C18H12FNO2S2/c1-11(21)12-6-8-14(9-7-12)20-17(22)16(24-18(20)23)10-13-4-2-3-5-15(13)19/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,16,19,5,9,6,8,14,2,4,15,7,20,13,11,23,21,10,3,12,24,22/E:(6,7)(8,9)/rA:24nCCOCCCCCCNCOCCCCCCCCFSCS/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s13;s10s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12FNO2S2 |
All Atoms: | 36 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.95079 |
Area: | 538.121 |
Solvation: | -3.50223 |
Coulombic: | -31.0222 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.39 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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