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Chemical ID: 7257780
Chemical ID:
7257780
Name [?]:
2-(4-benzoylphenoxy)-N-(4-methylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1csc(n1)NC(=O)COc2ccc(cc2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C19H16N2O3S/c1-13-12-25-19(20-13)21-17(22)11-24-16-9-7-15(8-10-16)18(23)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,25,14,16,13,17,10,3,2,20,15,12,8,18,5,6,7,9,19,11,4/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCSCNNCOCOCCCCCCCOCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O3S |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.668 |
Area: | 569.076 |
Solvation: | -5.55892 |
Coulombic: | -42.6591 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 352.408 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.35 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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