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Chemical ID: 4161316
Chemical ID:
4161316
Name [?]:
2-(2-methylphenoxy)-N-[4-(4-propoxyphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
CCCOc1ccc(cc1)c2csc(n2)NC(=O)COc3ccccc3C
InChi [?]:
InChI=1/C21H22N2O3S/c1-3-12-25-17-10-8-16(9-11-17)18-14-27-21(22-18)23-20(24)13-26-19-7-5-4-6-15(19)2/h4-11,14H,3,12-13H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,2,24,23,25,22,7,9,6,10,3,19,12,26,8,5,11,21,17,14,15,16,18,4,20,13/E:(8,9)(10,11)/rA:27nCCCOCCCCCCCCSCNNCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1495 |
Area: | 633.002 |
Solvation: | -5.6755 |
Coulombic: | -42.3552 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 382.477 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.43 |
LogP (Chemaxon): | 5.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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