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Chemical ID: 5411287
Chemical ID:
5411287
Name [?]:
N-(2-iodophenyl)-2-(4-phenylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)SCC(=O)Nc3ccccc3I
InChi [?]:
InChI=1/C17H13IN2OS2/c18-13-8-4-5-9-14(13)19-16(21)11-23-17-20-15(10-22-17)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,19,3,5,21,18,8,13,4,22,17,7,14,10,23,16,11,15,9,12/E:(2,3)(6,7)/rA:23nCCCCCCCCSCNSCCONCCCCCCI/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13IN2OS2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7252 |
Area: | 579.114 |
Solvation: | -2.75267 |
Coulombic: | -28.7469 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 452.334 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.77 |
LogP (Chemaxon): | 5.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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