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Chemical ID: 7521473
Chemical ID:
7521473
Name [?]:
2-(2,4-dimethylphenoxy)-N-[5-(m-tolylmethyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1cccc(c1)Cc2cnc(s2)NC(=O)COc3ccc(cc3C)C
InChi [?]:
InChI=1/C21H22N2O2S/c1-14-5-4-6-17(10-14)11-18-12-22-21(26-18)23-20(24)13-25-19-8-7-15(2)9-16(19)3/h4-10,12H,11,13H2,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,26,25,4,3,5,21,20,23,7,8,10,17,2,22,24,6,9,19,15,12,11,14,16,18,13/rA:26nCCCCCCCCCCNCSNCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2O2S |
All Atoms: | 48 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0689 |
Area: | 609.511 |
Solvation: | -5.16892 |
Coulombic: | -33.8627 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.73 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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