Chemical ID: 6915245

Cc1c(=O)[nH]c(=O)n(c1Sc2ccccc2)COCCO
Chemical ID:
6915245
Name [?]:
1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione
SMILES [?]:
Cc1c(=O)[nH]c(=O)n(c1Sc2ccccc2)COCCO
InChi [?]:
InChI=1/C14H16N2O4S/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,20,19,17,2,11,3,9,6,5,8,21,4,7,18,10/E:(3,4)(5,6)/rA:21nCCCONCONCSCCCCCCCOCCO/rB:s1;s2;d3;s3;s5;d6;s6;d2s8;s9;s10;s11;d12;s13;d14;d11s15;s8;s17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2O4S
All Atoms:37
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.53161
Area:477.425
Solvation:-5.40402
Coulombic:-63.1875
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:308.354
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.85
LogP (Chemaxon):2.67

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