Chemical ID: 7140022

Cc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)C(F)(F)F)Cl)S2
Chemical ID:
7140022
Name [?]:
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-(p-tolylmethylene)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)C(F)(F)F)Cl)S2
InChi [?]:
InChI=1/C18H12ClF3N2OS/c1-10-2-4-11(5-3-10)8-15-16(25)24-17(26-15)23-12-6-7-14(19)13(9-12)18(20,21)22/h2-9H,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,16,17,8,20,2,5,15,19,18,9,10,13,21,25,22,23,24,14,12,11,26/E:(2,3)(4,5)(20,21,22)/rA:26nCCCCCCCCCCONCNCCCCCCCFFFClS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s21;s21;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12ClF3N2OS
All Atoms:38
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.0847
Area:556.286
Solvation:-2.82241
Coulombic:-47.6046
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:396.815
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.08
LogP (Chemaxon):6.22

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Descriptor Annotations

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