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Chemical ID: 7140935
Chemical ID:
7140935
Name [?]:
2-[2-chloro-5-(trifluoromethyl)phenyl]imino-5-[(3-fluorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(cc(c1)F)C=C2C(=O)NC(=Nc3cc(ccc3Cl)C(F)(F)F)S2
InChi [?]:
InChI=1/C17H9ClF4N2OS/c18-12-5-4-10(17(20,21)22)8-13(12)23-16-24-15(25)14(26-16)7-9-2-1-3-11(19)6-9/h1-8H,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,4,8,16,3,17,5,20,15,9,10,13,22,21,7,23,24,25,14,12,11,26/E:(20,21,22)/rA:26nCCCCCCFCCCONCNCCCCCCClCFFFS/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s17;s22;s22;s22;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H9ClF4N2OS |
All Atoms: | 35 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58422 |
Area: | 533.56 |
Solvation: | -3.75478 |
Coulombic: | -51.3456 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 400.779 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.8 |
LogP (Chemaxon): | 5.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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