Chemical ID: 4938704

CCc1c(n(c(=O)[nH]c1=O)COCCO)Cc2ccccc2
Chemical ID:
4938704
Name [?]:
6-benzyl-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
SMILES [?]:
CCc1c(n(c(=O)[nH]c1=O)COCCO)Cc2ccccc2
InChi [?]:
InChI=1/C16H20N2O4/c1-2-13-14(10-12-6-4-3-5-7-12)18(11-22-9-8-19)16(21)17-15(13)20/h3-7,19H,2,8-11H2,1H3,(H,17,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,21,18,22,14,13,16,11,17,3,4,9,6,8,5,15,10,7,12/E:(4,5)(6,7)/rA:22nCCCCNCONCOCOCCOCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s3s8;d9;s5;s11;s12;s13;s14;s4;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.17255
Area:488.672
Solvation:-6.04426
Coulombic:-62.1311
Bond Count [?]
All:23
Single:17
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.341
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.88
LogP (Chemaxon):2.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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