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Chemical ID: 7084092
Chemical ID:
7084092
Name [?]:
4-(4-fluorophenyl)imino-5-[(5-phenyl-2-furyl)methylene]thiazolidin-2-one
SMILES [?]:
c1ccc(cc1)c2ccc(o2)C=C3C(=Nc4ccc(cc4)F)NC(=O)S3
InChi [?]:
InChI=1/C20H13FN2O2S/c21-14-6-8-15(9-7-14)22-19-18(26-20(24)23-19)12-16-10-11-17(25-16)13-4-2-1-3-5-13/h1-12H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,20,17,21,9,8,12,4,19,16,10,7,13,14,24,22,15,23,25,11,26/E:(2,3)(4,5)(6,7)(8,9)/rA:26nCCCCCCCCCCOCCCNCCCCCCFNCOS/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;w12;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s14;s23;d24;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13FN2O2S |
All Atoms: | 39 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19422 |
Area: | 519.577 |
Solvation: | -3.79521 |
Coulombic: | -39.6334 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 364.394 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.91 |
LogP (Chemaxon): | 4.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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