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Chemical ID: 5650281
Chemical ID:
5650281
Name [?]:
N-[4-(4-methoxy-3-methyl-phenyl)thiazol-2-yl]-2-phenoxy-acetamide
SMILES [?]:
Cc1cc(ccc1OC)c2csc(n2)NC(=O)COc3ccccc3
InChi [?]:
InChI=1/C19H18N2O3S/c1-13-10-14(8-9-17(13)23-2)16-12-25-19(20-16)21-18(22)11-24-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,9,23,22,24,21,25,5,6,3,18,11,2,4,20,10,7,16,13,14,15,17,8,19,12/E:(4,5)(6,7)/rA:25nCCCCCCCOCCCSCNNCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.51101 |
Area: | 576.013 |
Solvation: | -5.88931 |
Coulombic: | -41.5702 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 354.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.65 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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