Chemical ID: 4343873

CC(C)(C)c1ccc(cc1)N2C(=O)CC(=O)NC2=O
Chemical ID:
4343873
Name [?]:
1-(4-tert-butylphenyl)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
CC(C)(C)c1ccc(cc1)N2C(=O)CC(=O)NC2=O
InChi [?]:
InChI=1/C14H16N2O3/c1-14(2,3)9-4-6-10(7-5-9)16-12(18)8-11(17)15-13(16)19/h4-7H,8H2,1-3H3,(H,15,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,10,7,9,14,5,8,15,12,18,2,17,11,16,13,19/E:(1,2,3)(4,5)(6,7)/rA:19nCCCCCCCCCCNCOCCONCO/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s15;s11s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.68234
Area:438.013
Solvation:-3.26798
Coulombic:-45.3749
Bond Count [?]
All:20
Single:14
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:260.289
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.9
LogP (Chemaxon):2.28

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