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Chemical ID: 7027166
Chemical ID:
7027166
Name [?]:
2-ethoxy-4-[[4-(4-methoxyphenyl)thiazol-2-yl]aminoiminomethyl]phenol
SMILES [?]:
CCOc1cc(ccc1O)C=NNc2nc(cs2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H19N3O3S/c1-3-25-18-10-13(4-9-17(18)23)11-20-22-19-21-16(12-26-19)14-5-7-15(24-2)8-6-14/h4-12,23H,3H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,26,2,7,20,24,21,23,8,5,11,17,6,19,22,16,9,4,14,12,15,13,10,25,3,18/E:(5,6)(7,8)/rA:26nCCOCCCCCCOCNNCNCCSCCCCCCOC/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O3S |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.33945 |
Area: | 616.867 |
Solvation: | -6.08222 |
Coulombic: | -47.1211 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 369.439 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.02 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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