Basic information
- CAS
51963-79-2- Standard SMILES
COC(=O)NC(=O)Nc1ccccc1NC(=O)NC(=O)OC- InChIKey
ASZYYQWGTGVAMG-UHFFFAOYSA-N- Molecular formula
- C12H14N4O6
- Average molar mass
- 310.26 g/mol
- Monoisotopic mass
- 310.09133418
Names & identifiers
- Preferred name
- Dimethyl (1,2-phenylenedicarbamoyl)biscarbamate
- IUPAC
- methyl N-[[2-(methoxycarbonylcarbamoylamino)phenyl]carbamoyl]carbamate
Names & synonyms
DTXSID00722154Dimethyl (1,2-phenylenedicarbamoyl)biscarbamate
Database identifiers
- CAS
51963-79-2- PubChem CID
- 14619081
- DTXSID
DTXSID00722154
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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