Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3,5,7-trimethyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
Basic information
- CAS
79013-42-6- Standard SMILES
CC12CC3(C)CC(C)(C1)CC(C(=O)Oc1nc[nH]c1C(N)=O)(C2)C3- InChIKey
NGEIRZOWUFHJIN-UHFFFAOYSA-N- Molecular formula
- C18H25N3O3
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.18959167
Names & identifiers
- Preferred name
- Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3,5,7-trimethyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
- IUPAC
- (5-carbamoyl-1H-imidazol-4-yl) 3,5,7-trimethyladamantane-1-carboxylate
Names & synonyms
79013-42-6Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3,5,7-trimethyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl esterDTXSID702295045-Carbamoyl-1H-imidazole-4-yl 3',5',7'-trimethyladamantane-1'-carboxylateRefChem:385970DTXCID50151995SCHEMBL111294185-CARBAMOYL-1H-IMIDAZOL-4-YL 3,5,7-TRIMETHYLADAMANTANE-1-CARBOXYLATE
Database identifiers
- CAS
79013-42-6- PubChem CID
- 64512
- DTXSID
DTXSID70229504
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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