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Chemical ID: 4754286
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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