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Chemical ID: 7287303
Chemical ID:
7287303
Name [?]:
N-[4-[2-(2-phenoxyacetyl)aminothiazol-4-yl]phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)c2csc(n2)NC(=O)COc3ccccc3
InChi [?]:
InChI=1/C19H17N3O3S/c1-13(23)20-15-9-7-14(8-10-15)17-12-26-19(21-17)22-18(24)11-25-16-5-3-2-4-6-16/h2-10,12H,11H2,1H3,(H,20,23)(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,26,7,9,6,10,19,12,2,8,5,21,11,17,14,4,15,16,3,18,20,13/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCONCCCCCCCCSCNNCOCOCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N3O3S |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00925 |
Area: | 599.348 |
Solvation: | -5.97443 |
Coulombic: | -53.0114 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.423 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.76 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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