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Chemical ID: 6261039
Chemical ID:
6261039
Name [?]:
N-[4-(2,4-dimethoxyphenyl)thiazol-2-yl]-2-phenoxy-acetamide
SMILES [?]:
COc1ccc(c(c1)OC)c2csc(n2)NC(=O)COc3ccccc3
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-14-8-9-15(17(10-14)24-2)16-12-26-19(20-16)21-18(22)11-25-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,24,23,25,22,26,4,5,8,19,12,21,3,6,11,7,17,14,15,16,18,2,9,20,13/E:(4,5)(6,7)/rA:26nCOCCCCCCOCCCSCNNCOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O4S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.33466 |
Area: | 589.94 |
Solvation: | -7.41384 |
Coulombic: | -47.2442 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 370.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.34 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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