Chemical ID: 7140021

Cc1ccc(cc1)C=C2C(=O)NC(=Nc3cccc(c3)C(F)(F)F)S2
Chemical ID:
7140021
Name [?]:
5-(p-tolylmethylene)-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)NC(=Nc3cccc(c3)C(F)(F)F)S2
InChi [?]:
InChI=1/C18H13F3N2OS/c1-11-5-7-12(8-6-11)9-15-16(24)23-17(25-15)22-14-4-2-3-13(10-14)18(19,20)21/h2-10H,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,17,18,16,3,7,4,6,8,20,2,5,19,15,9,10,13,21,22,23,24,14,12,11,25/E:(5,6)(7,8)(19,20,21)/rA:25nCCCCCCCCCCONCNCCCCCCCFFFS/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13F3N2OS
All Atoms:38
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6647
Area:531.645
Solvation:-2.62642
Coulombic:-48.422
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:362.37
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.45
LogP (Chemaxon):5.7

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue