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Chemical ID: 4153169
Chemical ID:
4153169
Name [?]:
2-(2,4-dimethylphenoxy)-N-[4-(4-ethoxyphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3C)C
InChi [?]:
InChI=1/C21H22N2O3S/c1-4-25-17-8-6-16(7-9-17)18-13-27-21(22-18)23-20(24)12-26-19-10-5-14(2)11-15(19)3/h5-11,13H,4,12H2,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,26,2,22,6,8,5,9,21,24,18,11,23,25,7,4,10,20,16,13,14,15,17,3,19,12/E:(6,7)(8,9)/rA:27nCCOCCCCCCCCSCNNCOCOCCCCCCCC/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;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.98735 |
Area: | 628.117 |
Solvation: | -5.71557 |
Coulombic: | -41.6453 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 382.477 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.51 |
LogP (Chemaxon): | 5.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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