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Chemical ID: 7141314
Chemical ID:
7141314
Name [?]:
2-(3-chloro-4-fluoro-phenyl)imino-5-[(4-ethylphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
InChi [?]:
InChI=1/C18H14ClFN2OS/c1-2-11-3-5-12(6-4-11)9-16-17(23)22-18(24-16)21-13-7-8-15(20)14(19)10-13/h3-10H,2H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,17,18,9,21,3,6,16,20,19,10,11,14,22,23,15,13,12,24/E:(3,4)(5,6)/rA:24nCCCCCCCCCCCONCNCCCCCCClFS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14ClFN2OS |
All Atoms: | 38 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0591 |
Area: | 552.934 |
Solvation: | -2.76424 |
Coulombic: | -33.5703 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 360.834 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.78 |
LogP (Chemaxon): | 5.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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