Chemical ID: 7027018

C=CCn1c(csc1=Nc2ccccc2)c3ccc(cc3)F
Chemical ID:
7027018
Name [?]:
3-allyl-4-(4-fluorophenyl)-N-phenyl-thiazol-2-imine
SMILES [?]:
C=CCn1c(csc1=Nc2ccccc2)c3ccc(cc3)F
InChi [?]:
InChI=1/C18H15FN2S/c1-2-12-21-17(14-8-10-15(19)11-9-14)13-22-18(21)20-16-6-4-3-5-7-16/h2-11,13H,1,12H2
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,11,15,17,21,18,20,3,6,16,19,10,5,8,22,9,4,7/E:(4,5)(6,7)(8,9)(10,11)/rA:22nCCCNCCSCNCCCCCCCCCCCCF/rB:d1;s2;s3;s4;d5;s6;s4s7;w8;s9;s10;d11;s12;d13;d10s14;s5;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15FN2S
All Atoms:37
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.15723
Area:465.544
Solvation:-2.48138
Coulombic:-20.7983
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:310.39
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.53
LogP (Chemaxon):6.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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