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Chemical ID: 6146088
Chemical ID:
6146088
Name [?]:
2-(4-bromophenoxy)-N-[5-(p-tolylmethyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)Cc2cnc(s2)NC(=O)COc3ccc(cc3)Br
InChi [?]:
InChI=1/C19H17BrN2O2S/c1-13-2-4-14(5-3-13)10-17-11-21-19(25-17)22-18(23)12-24-16-8-6-15(20)7-9-16/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,21,23,20,24,8,10,17,2,5,22,19,9,15,12,25,11,14,16,18,13/E:(2,3)(4,5)(6,7)(8,9)/rA:25nCCCCCCCCCCNCSNCOCOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;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: | 9.76473 |
Area: | 599.438 |
Solvation: | -5.22123 |
Coulombic: | -33.7493 |
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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