Chemical ID: 5411287

c1ccc(cc1)c2csc(n2)SCC(=O)Nc3ccccc3I
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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Descriptor Annotations

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