Chemical ID: 4754286

CC(C)N1CCC(=O)N(C1=O)c2ccc(cc2)C(C)(C)C
Chemical ID:
4754286
Name [?]:
1-isopropyl-3-(4-tert-butylphenyl)-hexahydropyrimidine-2,4-dione
SMILES [?]:
CC(C)N1CCC(=O)N(C1=O)c2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C17H24N2O2/c1-12(2)18-11-10-15(20)19(16(18)21)14-8-6-13(7-9-14)17(3,4)5/h6-9,12H,10-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,19,20,21,14,16,13,17,6,5,2,15,12,7,10,18,4,9,8,11/E:(1,2)(3,4,5)(6,7)(8,9)/rA:21nCCCNCCCONCOCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s4s9;d10;s9;s12;d13;s14;d15;d12s16;s15;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.5999
Area:484.649
Solvation:-2.51634
Coulombic:-35.1029
Bond Count [?]
All:22
Single:17
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:288.385
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.39
LogP (Chemaxon):3.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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