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Chemical ID: 5249673
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
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Experimental Annotations
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Descriptor Annotations
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