Chemical ID: 6467942

Cc1ccc(cc1)C=C2C(=O)N(C(=Nc3cccc(c3)C(F)(F)F)S2)C
Chemical ID:
6467942
Name [?]:
3-methyl-5-(p-tolylmethylene)-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)N(C(=Nc3cccc(c3)C(F)(F)F)S2)C
InChi [?]:
InChI=1/C19H15F3N2OS/c1-12-6-8-13(9-7-12)10-16-17(25)24(2)18(26-16)23-15-5-3-4-14(11-15)19(20,21)22/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,17,18,16,3,7,4,6,8,20,2,5,19,15,9,10,13,21,22,23,24,14,12,11,25/E:(6,7)(8,9)(20,21,22)/rA:26nCCCCCCCCCCONCNCCCCCCCFFFSC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s21;s21;s9s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15F3N2OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.5976
Area:534.229
Solvation:-2.75816
Coulombic:-44.148
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:376.396
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.6
LogP (Chemaxon):5.95

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