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Chemical ID: 7522633
Chemical ID:
7522633
Name [?]:
N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-2-(2,5-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2ncc(s2)Cc3ccc(cc3)Br)C
InChi [?]:
InChI=1/C20H19BrN2O2S/c1-13-3-4-14(2)18(9-13)25-12-19(24)23-20-22-11-17(26-20)10-15-5-7-16(21)8-6-15/h3-9,11H,10,12H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,26,3,4,20,24,21,23,7,18,15,9,2,5,19,22,16,6,10,13,25,14,12,11,8,17/E:(5,6)(7,8)/rA:26nCCCCCCCOCCONCNCCSCCCCCCCBrC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;s19;d20;s21;d22;d19s23;s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19BrN2O2S |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.2923 |
Area: | 616.518 |
Solvation: | -5.12064 |
Coulombic: | -33.9571 |
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: | 4.09 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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