Chemical ID: 5752239

CCc1c(nc([nH]c1=O)SCC(=O)Nc2ccccc2)C
Chemical ID:
5752239
Name [?]:
2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-acetamide
SMILES [?]:
CCc1c(nc([nH]c1=O)SCC(=O)Nc2ccccc2)C
InChi [?]:
InChI=1/C15H17N3O2S/c1-3-12-10(2)16-15(18-14(12)20)21-9-13(19)17-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,19)(H,16,18,20)
InChi Info:
AuxInfo=1/1/N:1,21,2,18,17,19,16,20,11,4,15,3,12,8,6,5,14,7,13,9,10/E:(5,6)(7,8)/rA:21nCCCCNCNCOSCCONCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3s7;d8;s6;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17N3O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.55463
Area:509.572
Solvation:-3.18466
Coulombic:-46.7555
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:1.41
LogP (Chemaxon):2.6

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Descriptor Annotations

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