4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate
Basic information
- CAS
79013-37-9- Standard SMILES
NC(=O)c1[nH]cnc1OC(=O)C12CC3CC(CC(Cl)(C3)C1)C2- InChIKey
NJSKIZPPQRQXGT-UHFFFAOYSA-N- Molecular formula
- C15H18ClN3O3
- Average molar mass
- 323.77 g/mol
- Monoisotopic mass
- 323.1036691
Names & identifiers
- Preferred name
- 4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate
- IUPAC
- (5-carbamoyl-1H-imidazol-4-yl) 3-chloroadamantane-1-carboxylate
Names & synonyms
79013-37-9DTXSID3010001994-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylateRefChem:1070456DTXCID6014271665-Carbamoyl-1H-imidazole-4-yl 3'-chloroadamantane-1'-carboxylateTricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3-chloro-, 5-(aminocarbonyl)-1H-imidazol-4-yl esterSCHEMBL11085470
Database identifiers
- CAS
79013-37-9- PubChem CID
- 64510
- DTXSID
DTXSID301000199
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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