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Chemical ID: 4153730
Chemical ID:
4153730
Name [?]:
4-(4-methylphenoxy)-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-butanamide
SMILES [?]:
Cc1ccc(cc1)c2c(sc(n2)NC(=O)CCCOc3ccc(cc3)C)C
InChi [?]:
InChI=1/C22H24N2O2S/c1-15-6-10-18(11-7-15)21-17(3)27-22(24-21)23-20(25)5-4-14-26-19-12-8-16(2)9-13-19/h6-13H,4-5,14H2,1-3H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,27,17,16,3,7,22,24,4,6,21,25,18,2,23,9,5,20,14,8,11,13,12,15,19,10/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCCCCCCCCCSCNNCOCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s23;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7404 |
Area: | 634.187 |
Solvation: | -4.11433 |
Coulombic: | -34.6648 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 380.504 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.75 |
LogP (Chemaxon): | 5.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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