tert-butyl 4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate
Basic information
- CAS
865659-73-0- Standard SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1- InChIKey
JLSDDAXAQSRWMO-UHFFFAOYSA-N- Molecular formula
- C18H25N3O5
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.17942091
Names & identifiers
- Preferred name
- tert-butyl 4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate
- IUPAC
- tert-butyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperazine-1-carboxylate
Names & synonyms
865659-73-0tert-butyl 4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylatetert-butyl 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]piperazine-1-carboxylatetert-butyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperazine-1-carboxylateMFCD04125252MLS000720708CHEMBL1534625DTXSID501117427HMS2729M14AKOS005090857SMR0003366943X-0303
Show more names
tert-butyl4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]piperazine-1-carboxylate1,1-Dimethylethyl 4-[[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]carbonyl]-1-piperazinecarboxylatet-Butyl 4-[(2,3-dihydro-1,4-benZodioxin-6-ylamino)carbonyl]tetrahydro-1(2H)-pyraZinecarboxylate
Database identifiers
- CAS
865659-73-0- PubChem CID
- 1474786
- DTXSID
DTXSID501117427- ChEMBL
CHEMBL1534625
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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