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Chemical ID: 6218132
Chemical ID:
6218132
Name [?]:
N-(5-acetyl-4-methyl-thiazol-2-yl)-2-phenoxy-acetamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)COc2ccccc2)C(=O)C
InChi [?]:
InChI=1/C14H14N2O3S/c1-9-13(10(2)17)20-14(15-9)16-12(18)8-19-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,20,15,14,16,13,17,10,2,18,12,8,3,5,6,7,19,9,11,4/E:(4,5)(6,7)/rA:20nCCCSCNNCOCOCCCCCCCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14N2O3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.56487 |
Area: | 488.167 |
Solvation: | -5.63929 |
Coulombic: | -39.5233 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 290.339 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.23 |
LogP (Chemaxon): | 1.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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