Chemical ID: 4801577

c1cc(oc1)C=CC=C2C(=O)N=C(S2)Nc3ccc(cc3)F
Chemical ID:
4801577
Name [?]:
2-(4-fluorophenyl)amino-5-[3-(2-furyl)prop-2-enylidene]thiazol-4-one
SMILES [?]:
c1cc(oc1)C=CC=C2C(=O)N=C(S2)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C16H11FN2O2S/c17-11-6-8-12(9-7-11)18-16-19-15(20)14(22-16)5-1-3-13-4-2-10-21-13/h1-10H,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:7,1,6,2,8,18,20,17,21,5,19,16,3,9,10,13,22,15,12,11,4,14/E:(6,7)(8,9)/rA:22nCCCOCCCCCCONCSNCCCCCCF/rB:s1;d2;s3;d1s4;s3;w6;s7;w8;s9;d10;s10;d12;s9s13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11FN2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.3253
Area:502.958
Solvation:-3.24865
Coulombic:-40.375
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:314.335
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.49
LogP (Chemaxon):3.82

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