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Chemical ID: 7298682
Chemical ID:
7298682
Name [?]:
2-(3-acetylphenoxy)-N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(c(c1)c2csc(n2)NC(=O)COc3cccc(c3)C(=O)C)C
InChi [?]:
InChI=1/C21H20N2O3S/c1-13-7-8-14(2)18(9-13)19-12-27-21(22-19)23-20(25)11-26-17-6-4-5-16(10-17)15(3)24/h4-10,12H,11H2,1-3H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,27,26,20,21,19,3,4,7,23,16,9,2,5,24,22,18,6,8,14,11,12,13,25,15,17,10/rA:27nCCCCCCCCCSCNNCOCOCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;d24;s24;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N2O3S |
All Atoms: | 47 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.43158 |
Area: | 614.332 |
Solvation: | -5.92673 |
Coulombic: | -41.1567 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 380.461 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.22 |
LogP (Chemaxon): | 4.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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