Chemical ID: 6540150

c1ccc2c(c1)cccc2Cc3cnc(s3)NC(=O)c4cccc(c4)Br
Chemical ID:
6540150
Name [?]:
3-bromo-N-[5-(1-naphthylmethyl)thiazol-2-yl]-benzamide
SMILES [?]:
c1ccc2c(c1)cccc2Cc3cnc(s3)NC(=O)c4cccc(c4)Br
InChi [?]:
InChI=1/C21H15BrN2OS/c22-17-9-4-8-16(11-17)20(25)24-21-23-13-18(26-21)12-15-7-3-6-14-5-1-2-10-19(14)15/h1-11,13H,12H2,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,8,22,6,7,9,21,23,3,25,11,13,5,10,20,24,12,4,18,15,26,14,17,19,16/rA:26nCCCCCCCCCCCCCNCSNCOCCCCCCBr/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s13;d14;s12s15;s15;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15BrN2OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.4798
Area:581.953
Solvation:-3.06908
Coulombic:-29.3527
Bond Count [?]
All:29
Single:18
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:423.327
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.01
LogP (Chemaxon):5.84

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