Chemical ID: 6146088

Cc1ccc(cc1)Cc2cnc(s2)NC(=O)COc3ccc(cc3)Br
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

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Descriptor Annotations

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