Chemical ID: 7143407

CCc1ccccc1NC2=NC(=O)C(=Cc3c(cccc3Cl)F)S2
Chemical ID:
7143407
Name [?]:
5-[(2-chloro-6-fluoro-phenyl)methylene]-2-(2-ethylphenyl)amino-thiazol-4-one
SMILES [?]:
CCc1ccccc1NC2=NC(=O)C(=Cc3c(cccc3Cl)F)S2
InChi [?]:
InChI=1/C18H14ClFN2OS/c1-2-11-6-3-4-9-15(11)21-18-22-17(23)16(24-18)10-12-13(19)7-5-8-14(12)20/h3-10H,2H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,19,4,20,18,7,15,3,16,21,17,8,14,12,10,22,23,9,11,13,24/rA:24nCCCCCCCCNCNCOCCCCCCCCClFS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s17;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClFN2OS
All Atoms:38
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.1184
Area:544.606
Solvation:-2.49674
Coulombic:-34.6429
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:360.834
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.83
LogP (Chemaxon):5.72

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