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Chemical ID: 5391387
Chemical ID:
5391387
Name [?]:
N-(4-iodophenyl)-2-(4-methylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
Cc1csc(n1)SCC(=O)Nc2ccc(cc2)I
InChi [?]:
InChI=1/C12H11IN2OS2/c1-8-6-17-12(14-8)18-7-11(16)15-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,14,16,13,17,3,8,2,15,12,9,5,18,6,11,10,4,7/E:(2,3)(4,5)/rA:18nCCCSCNSCCONCCCCCCI/rB:s1;d2;s3;s4;s2d5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11IN2OS2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.75483 |
Area: | 501.215 |
Solvation: | -2.77555 |
Coulombic: | -25.7925 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 390.265 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.06 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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