Chemical ID: 6176389

COc1ccc(cc1)c2csc(=NN=Cc3ccc(cc3)F)[nH]2
Chemical ID:
6176389
Name [?]:
N-[(4-fluorophenyl)methyleneamino]-4-(4-methoxyphenyl)-3H-thiazol-2-imine
SMILES [?]:
COc1ccc(cc1)c2csc(=NN=Cc3ccc(cc3)F)[nH]2
InChi [?]:
InChI=1/C17H14FN3OS/c1-22-15-8-4-13(5-9-15)16-11-23-17(20-16)21-19-10-12-2-6-14(18)7-3-12/h2-11H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,17,21,5,7,18,20,4,8,15,10,16,6,19,3,9,12,22,14,23,13,2,11/E:(2,3)(4,5)(6,7)(8,9)/rA:23nCOCCCCCCCCSCNNCCCCCCCFN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;w12;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s9s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14FN3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.02406
Area:524.097
Solvation:-4.07836
Coulombic:-28.3291
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:327.377
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.88
LogP (Chemaxon):3.77

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Descriptor Annotations

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