Chemical ID: 5516356

CCc1ccccc1NC(=O)CSc2[nH]ccc(=O)n2
Chemical ID:
5516356
Name [?]:
N-(2-ethylphenyl)-2-[(4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILES [?]:
CCc1ccccc1NC(=O)CSc2[nH]ccc(=O)n2
InChi [?]:
InChI=1/C14H15N3O2S/c1-2-10-5-3-4-6-11(10)16-13(19)9-20-14-15-8-7-12(18)17-14/h3-8H,2,9H2,1H3,(H,16,19)(H,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,7,17,16,12,3,8,18,10,14,15,9,20,19,11,13/rA:20nCCCCCCCCNCOCSCNCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d14s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15N3O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.99651
Area:490.145
Solvation:-3.25713
Coulombic:-47.4375
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:289.354
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.9
LogP (Chemaxon):2.53

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