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Chemical ID: 7519110
Chemical ID:
7519110
Name [?]:
N-(5-benzylthiazol-2-yl)-2-(2-formylphenoxy)-acetamide
SMILES [?]:
c1ccc(cc1)Cc2cnc(s2)NC(=O)COc3ccccc3C=O
InChi [?]:
InChI=1/C19H16N2O3S/c22-12-15-8-4-5-9-17(15)24-13-18(23)21-19-20-11-16(25-19)10-14-6-2-1-3-7-14/h1-9,11-12H,10,13H2,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,20,3,5,22,19,7,9,24,16,4,23,8,18,14,11,10,13,25,15,17,12/E:(2,3)(6,7)/rA:25nCCCCCCCCCNCSNCOCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O3S |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.69957 |
Area: | 582.666 |
Solvation: | -5.86708 |
Coulombic: | -41.5739 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.32 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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