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Chemical ID: 7027231
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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