Chemical ID: 6577179

Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)C#N)O
Chemical ID:
6577179
Name [?]:
N-(3-cyanophenyl)-2-(4-hydroxy-6-methyl-pyrimidin-2-yl)sulfanyl-acetamide
SMILES [?]:
Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)C#N)O
InChi [?]:
InChI=1/C14H12N4O2S/c1-9-5-12(19)18-14(16-9)21-8-13(20)17-11-4-2-3-10(6-11)7-15/h2-6H,8H2,1H3,(H,17,20)(H,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,3,18,19,9,2,17,13,4,10,6,20,7,12,5,21,11,8/rA:21nCCCCNCNSCCONCCCCCCCNO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;t19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N4O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.97216
Area:516.311
Solvation:-3.93561
Coulombic:-50.4673
Bond Count [?]
All:22
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:300.337
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.39
LogP (Chemaxon):2.41

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Descriptor Annotations

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