Chemical ID: 7027231

COc1cc(ccc1O)C=NNc2nc(cs2)c3ccc(cc3)F
Chemical ID:
7027231
Name [?]:
4-[[4-(4-fluorophenyl)thiazol-2-yl]aminoiminomethyl]-2-methoxy-phenol
SMILES [?]:
COc1cc(ccc1O)C=NNc2nc(cs2)c3ccc(cc3)F
InChi [?]:
InChI=1/C17H14FN3O2S/c1-23-16-8-11(2-7-15(16)22)9-19-21-17-20-14(10-24-17)12-3-5-13(18)6-4-12/h2-10,22H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,6,19,23,20,22,7,4,10,16,5,18,21,15,8,3,13,24,11,14,12,9,2,17/E:(3,4)(5,6)/rA:24nCOCCCCCCOCNNCNCCSCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14FN3O2S
All Atoms:38
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.22326
Area:558.056
Solvation:-5.72813
Coulombic:-43.5293
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:343.376
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.85
LogP (Chemaxon):4.75

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