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Chemical ID: 4324195
Chemical ID:
4324195
Name [?]:
N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2ncc(s2)Cc3ccc(cc3)Br
InChi [?]:
InChI=1/C19H17BrN2O2S/c1-13-3-2-4-16(9-13)24-12-18(23)22-19-21-11-17(25-19)10-14-5-7-15(20)8-6-14/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,20,24,21,23,7,18,15,9,2,19,22,6,16,10,13,25,14,12,11,8,17/E:(5,6)(7,8)/rA:25nCCCCCCCOCCONCNCCSCCCCCCCBr/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17BrN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.73391 |
Area: | 597.41 |
Solvation: | -5.20135 |
Coulombic: | -34.0193 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 417.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.86 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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