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Chemical ID: 7027165
Chemical ID:
7027165
Name [?]:
2-ethoxy-4-[[4-(4-fluorophenyl)thiazol-2-yl]aminoiminomethyl]phenol
SMILES [?]:
CCOc1cc(ccc1O)C=NNc2nc(cs2)c3ccc(cc3)F
InChi [?]:
InChI=1/C18H16FN3O2S/c1-2-24-17-9-12(3-8-16(17)23)10-20-22-18-21-15(11-25-18)13-4-6-14(19)7-5-13/h3-11,23H,2H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,7,20,24,21,23,8,5,11,17,6,19,22,16,9,4,14,25,12,15,13,10,3,18/E:(4,5)(6,7)/rA:25nCCOCCCCCCOCNNCNCCSCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16FN3O2S |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.94391 |
Area: | 582.101 |
Solvation: | -5.60861 |
Coulombic: | -43.802 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.403 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.27 |
LogP (Chemaxon): | 5.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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