Chemical ID: 5666542

Cc1ccc(cc1C)C(=O)OCC(=O)c2c(n(c(=O)n(c2=O)C)CC(C)C)N
Chemical ID:
5666542
Name [?]:
[2-(6-amino-1-isobutyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 3,4-dimethylbenzoate
SMILES [?]:
Cc1ccc(cc1C)C(=O)OCC(=O)c2c(n(c(=O)n(c2=O)C)CC(C)C)N
InChi [?]:
InChI=1/C20H25N3O5/c1-11(2)9-23-17(21)16(18(25)22(5)20(23)27)15(24)10-28-19(26)14-7-6-12(3)13(4)8-14/h6-8,11H,9-10,21H2,1-5H3
InChi Info:
AuxInfo=1/0/N:26,27,1,8,23,3,4,6,24,12,25,2,7,5,13,15,16,21,9,18,28,20,17,14,22,10,19,11/E:(1,2)/rA:28nCCCCCCCCCOOCCOCCNCONCOCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;s12;d13;s13;d15;s16;s17;d18;s18;s15s20;d21;s20;s17;s24;s25;s25;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N3O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.6949
Area:603.584
Solvation:-3.39471
Coulombic:-79.6056
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:387.43
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.64
LogP (Chemaxon):2.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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