Chemical ID: 5720477

CCc1c(nc([nH]c1=O)SCC(=O)Nc2ccc(cc2)C(=O)C)C
Chemical ID:
5720477
Name [?]:
N-(4-acetylphenyl)-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILES [?]:
CCc1c(nc([nH]c1=O)SCC(=O)Nc2ccc(cc2)C(=O)C)C
InChi [?]:
InChI=1/C17H19N3O3S/c1-4-14-10(2)18-17(20-16(14)23)24-9-15(22)19-13-7-5-12(6-8-13)11(3)21/h5-8H,4,9H2,1-3H3,(H,19,22)(H,18,20,23)
InChi Info:
AuxInfo=1/1/N:1,24,23,2,17,19,16,20,11,4,21,18,15,3,12,8,6,5,14,7,22,13,9,10/E:(5,6)(7,8)/rA:24nCCCCNCNCOSCCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s3s7;d8;s6;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N3O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.97016
Area:569.75
Solvation:-4.27357
Coulombic:-53.1505
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:345.417
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.25
LogP (Chemaxon):1.91

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Descriptor Annotations

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