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Chemical ID: 4880462
Chemical ID:
4880462
Name [?]:
N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide
SMILES [?]:
C1CCC(CC1)C(=O)NC2(C(=O)N(C(=O)N2)C3CCCCC3)C(F)(F)F
InChi [?]:
InChI=1/C17H24F3N3O3/c18-17(19,20)16(21-13(24)11-7-3-1-4-8-11)14(25)23(15(26)22-16)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,21,24)(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,20,2,6,19,21,3,5,18,22,4,17,7,11,14,10,23,24,25,26,9,16,13,8,12,15/E:(3,4)(5,6)(7,8)(9,10)(18,19,20)/rA:26cCCCCCCCONCCONCONCCCCCCCFFF/rB:s1;s2;s3;s4;s1s5;s4;d7;s7;s9;s10;d11;s11;s13;d14;s10s14;s13;s17;s18;s19;s20;s17s21;s10;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24F3N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.03074 |
Area: | 522.659 |
Solvation: | -4.03573 |
Coulombic: | -79.7851 |
Bond Count [?]
All: | 28 |
Single: | 25 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 375.386 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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