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Chemical ID: 6220057
Chemical ID:
6220057
Name [?]:
N-[4-(4-ethoxyphenyl)thiazol-2-yl]-2-phenoxy-acetamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)COc3ccccc3
InChi [?]:
InChI=1/C19H18N2O3S/c1-2-23-16-10-8-14(9-11-16)17-13-25-19(20-17)21-18(22)12-24-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,23,22,24,21,25,6,8,5,9,18,11,7,20,4,10,16,13,14,15,17,3,19,12/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCOCCCCCCCCSCNNCOCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;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: | 8.84581 |
Area: | 585.161 |
Solvation: | -5.78322 |
Coulombic: | -41.9485 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 354.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.85 |
LogP (Chemaxon): | 4.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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