Chemical ID: 5510927

CCc1ccccc1NC(=O)CSc2[nH]c(=O)cc(n2)C
Chemical ID:
5510927
Name [?]:
N-(2-ethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILES [?]:
CCc1ccccc1NC(=O)CSc2[nH]c(=O)cc(n2)C
InChi [?]:
InChI=1/C15H17N3O2S/c1-3-11-6-4-5-7-12(11)17-14(20)9-21-15-16-10(2)8-13(19)18-15/h4-8H,3,9H2,1-2H3,(H,17,20)(H,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,2,5,6,4,7,18,12,19,3,8,16,10,14,20,9,15,17,11,13/rA:21nCCCCCCCCNCOCSCNCOCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;d16;s16;d18;d14s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17N3O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.51013
Area:513.576
Solvation:-3.32927
Coulombic:-46.1885
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.38
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.5
LogP (Chemaxon):1.95

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