Chemical ID: 7140954

c1ccc2c(c1)cccc2N=C3NC(=O)C(=Cc4ccc(cc4)F)S3
Chemical ID:
7140954
Name [?]:
5-[(4-fluorophenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one
SMILES [?]:
c1ccc2c(c1)cccc2N=C3NC(=O)C(=Cc4ccc(cc4)F)S3
InChi [?]:
InChI=1/C20H13FN2OS/c21-15-10-8-13(9-11-15)12-18-19(24)23-20(25-18)22-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,19,23,20,22,17,18,5,21,4,10,16,14,12,24,11,13,15,25/E:(8,9)(10,11)/rA:25nCCCCCCCCCCNCNCOCCCCCCCCFS/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H13FN2OS
All Atoms:38
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.4559
Area:531.947
Solvation:-2.84279
Coulombic:-34.8157
Bond Count [?]
All:28
Single:17
Double:11
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:348.395
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.52
LogP (Chemaxon):5.49

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