Basic information
- CAS
388628-48-6- Standard SMILES
COc1ccc(NC(=O)OCCn2c([N+](=O)[O-])cnc2C)cc1- InChIKey
YOSGGGXVELAQRW-UHFFFAOYSA-N- Molecular formula
- C14H16N4O5
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.11206962
Names & identifiers
- Preferred name
- 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-methoxyphenylcarbamate
- IUPAC
- 2-(2-methyl-5-nitroimidazol-1-yl)ethyl N-(4-methoxyphenyl)carbamate
Names & synonyms
MLS000584289Oprea1_673100CHEMBL1495605DTXSID401129764HMS2593E12HMS3383M012-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-methoxyphenylcarbamateCCG-104115388628-48-6SMR000203452SR-01000106738SR-01000106738-1
Show more names
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl (4-methoxyphenyl)carbamateCarbamic acid, (4-methoxyphenyl)-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
Database identifiers
- CAS
388628-48-6- PubChem CID
- 4454571
- DTXSID
DTXSID401129764- ChEMBL
CHEMBL1495605
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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