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Chemical ID: 5360385
Chemical ID:
5360385
Name [?]:
N-(3-bromophenyl)-2-(4-phenylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)SCC(=O)Nc3cccc(c3)Br
InChi [?]:
InChI=1/C17H13BrN2OS2/c18-13-7-4-8-14(9-13)19-16(21)11-23-17-20-15(10-22-17)12-5-2-1-3-6-12/h1-10H,11H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,3,5,20,18,22,8,13,4,21,17,7,14,10,23,16,11,15,9,12/E:(2,3)(5,6)/rA:23nCCCCCCCCSCNSCCONCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13BrN2OS2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2348 |
Area: | 568.953 |
Solvation: | -2.98898 |
Coulombic: | -28.2408 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 405.334 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.5 |
LogP (Chemaxon): | 5.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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