Chemical ID: 5249673

C1CCC(CC1)C2CCC(CC2)N3C(=O)CC(=O)NC3=O
Chemical ID:
5249673
Name [?]:
1-(4-cyclohexylcyclohexyl)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
C1CCC(CC1)C2CCC(CC2)N3C(=O)CC(=O)NC3=O
InChi [?]:
InChI=1/C16H24N2O3/c19-14-10-15(20)18(16(21)17-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h11-13H,1-10H2,(H,17,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,12,9,11,16,4,7,10,17,14,20,19,13,18,15,21/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCCCCCCCCCCCCNCOCCONCO/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;d14;s14;s16;d17;s17;s13s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.09209
Area:470.598
Solvation:-2.67286
Coulombic:-46.569
Bond Count [?]
All:23
Single:20
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:292.373
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.29
LogP (Chemaxon):2.29

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue