Chemical ID: 5361331

CCc1ccccc1NC(=O)CSc2ccccn2
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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Descriptor Annotations

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