Chemical ID: 5628682

c1ccc(cc1)Cc2cnc(s2)NC(=O)c3ccc(cc3)Br
Chemical ID:
5628682
Name [?]:
N-(5-benzylthiazol-2-yl)-4-bromo-benzamide
SMILES [?]:
c1ccc(cc1)Cc2cnc(s2)NC(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C17H13BrN2OS/c18-14-8-6-13(7-9-14)16(21)20-17-19-11-15(22-17)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,17,21,18,20,7,9,4,16,19,8,14,11,22,10,13,15,12/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCCCCCCCCCNCSNCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13BrN2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.521
Area:533.768
Solvation:-2.82318
Coulombic:-28.7479
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:373.268
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.74
LogP (Chemaxon):4.84

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue