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Chemical ID: 5361331
Chemical ID:
5361331
Name [?]:
N-(2-ethylphenyl)-2-(2-pyridylsulfanyl)acetamide
SMILES [?]:
CCc1ccccc1NC(=O)CSc2ccccn2
InChi [?]:
InChI=1/C15H16N2OS/c1-2-12-7-3-4-8-13(12)17-14(18)11-19-15-9-5-6-10-16-15/h3-10H,2,11H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,16,17,4,7,15,18,12,3,8,10,14,19,9,11,13/rA:19nCCCCCCCCNCOCSCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.33024 |
Area: | 475.056 |
Solvation: | -2.54616 |
Coulombic: | -27.0486 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 272.366 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.76 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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