Chemical ID: 4324195

Cc1cccc(c1)OCC(=O)Nc2ncc(s2)Cc3ccc(cc3)Br
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

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