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Chemical ID: 7140915
Chemical ID:
7140915
Name [?]:
5-[(2-fluorophenyl)methylene]-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)NC(=Nc3cccc(c3)C(F)(F)F)S2)F
InChi [?]:
InChI=1/C17H10F4N2OS/c18-13-7-2-1-4-10(13)8-14-15(24)23-16(25-14)22-12-6-3-5-11(9-12)17(19,20)21/h1-9H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,16,6,17,15,3,7,19,5,18,14,4,8,9,12,20,25,21,22,23,13,11,10,24/E:(19,20,21)/rA:25nCCCCCCCCCONCNCCCCCCCFFFSF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10F4N2OS |
All Atoms: | 35 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.45065 |
Area: | 516.312 |
Solvation: | -3.45714 |
Coulombic: | -51.8725 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 366.334 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.18 |
LogP (Chemaxon): | 5.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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