Chemical ID: 4323533

c1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3)Br
Chemical ID:
4323533
Name [?]:
2-(4-bromophenoxy)-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3)Br
InChi [?]:
InChI=1/C17H13BrN2O2S/c18-13-6-8-14(9-7-13)22-10-16(21)20-17-19-15(11-23-17)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,21,18,22,15,8,4,20,17,7,13,10,23,11,12,14,16,9/E:(2,3)(4,5)(6,7)(8,9)/rA:23nCCCCCCCCSCNNCOCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13BrN2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.319
Area:553.557
Solvation:-4.51993
Coulombic:-35.16
Bond Count [?]
All:25
Single:16
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:389.267
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.31
LogP (Chemaxon):5.01

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