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Chemical ID: 5628682
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
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Experimental Annotations
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Descriptor Annotations
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