Chemical ID: 5780596

COc1ccc(cc1)C=NN=c2[nH]c(cs2)c3ccc(cc3)F
Chemical ID:
5780596
Name [?]:
4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyleneamino]-3H-thiazol-2-imine
SMILES [?]:
COc1ccc(cc1)C=NN=c2[nH]c(cs2)c3ccc(cc3)F
InChi [?]:
InChI=1/C17H14FN3OS/c1-22-15-8-2-12(3-9-15)10-19-21-17-20-16(11-23-17)13-4-6-14(18)7-5-13/h2-11H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,7,18,22,19,21,4,8,9,15,6,17,20,3,14,12,23,10,13,11,2,16/E:(2,3)(4,5)(6,7)(8,9)/rA:23nCOCCCCCCCNNCNCCSCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;w11;s12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14FN3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.26789
Area:529.059
Solvation:-3.95859
Coulombic:-28.4196
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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