Chemical ID: 6698392

Cc1ccc(cc1)NC(=O)CSc2[nH]c(=O)cc(n2)C
Chemical ID:
6698392
Name [?]:
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSc2[nH]c(=O)cc(n2)C
InChi [?]:
InChI=1/C14H15N3O2S/c1-9-3-5-11(6-4-9)16-13(19)8-20-14-15-10(2)7-12(18)17-14/h3-7H,8H2,1-2H3,(H,16,19)(H,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,3,7,4,6,17,11,2,18,5,15,9,13,19,8,14,16,10,12/E:(3,4)(5,6)/rA:20nCCCCCCCNCOCSCNCOCCNC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;d15;s15;d17;d13s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15N3O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.96226
Area:493.462
Solvation:-3.3743
Coulombic:-45.6263
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:289.354
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.24
LogP (Chemaxon):2.2

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