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Chemical ID: 6564615
Chemical ID:
6564615
Name [?]:
N-(1-methyl-4-oxo-5H-imidazol-2-yl)adamantane-1-carboxamide
SMILES [?]:
CN1CC(=O)N=C1NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C15H21N3O2/c1-18-8-12(19)16-14(18)17-13(20)15-5-9-2-10(6-15)4-11(3-9)7-15/h9-11H,2-8H2,1H3,(H,16,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,14,17,19,16,12,20,3,15,13,18,4,9,7,11,6,8,2,5,10/E:(2,3,4)(5,6,7)(9,10,11)/rA:20nCNCCONCNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s2d6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21N3O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.47422 |
Area: | 436.917 |
Solvation: | -3.4487 |
Coulombic: | -42.1074 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 275.346 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.43 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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