Chemical ID: 6701358

Cc1ccc(cc1)C(=O)CSc2[nH]c(=O)cc(n2)C
Chemical ID:
6701358
Name [?]:
6-methyl-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-3H-pyrimidin-4-one
SMILES [?]:
Cc1ccc(cc1)C(=O)CSc2[nH]c(=O)cc(n2)C
InChi [?]:
InChI=1/C14H14N2O2S/c1-9-3-5-11(6-4-9)12(17)8-19-14-15-10(2)7-13(18)16-14/h3-7H,8H2,1-2H3,(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,19,3,7,4,6,16,10,2,17,5,8,14,12,18,13,9,15,11/E:(3,4)(5,6)/rA:19nCCCCCCCCOCSCNCOCCNC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;d14;s14;d16;d12s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14N2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.71068
Area:476.103
Solvation:-3.19191
Coulombic:-34.1884
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:274.339
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.83
LogP (Chemaxon):2.19

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Descriptor Annotations

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