Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cc2c([nH]1)CCN(C(=O)OC(C)(C)C)C2- InChIKey
OBACGZUFALYMBB-UHFFFAOYSA-N- Molecular formula
- C24H32N4O5
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.23727013
Names & identifiers
- Preferred name
- tert-butyl 2-({2-[(tert-butoxycarbonyl)amino]phenyl} carbamoyl)-1,4,6,7-tetrahydro-5H-pyrrolo[3,2-c]pyridine-5-carboxylate
- IUPAC
- tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine-5-carboxylate
Names & synonyms
SCHEMBL977242OBACGZUFALYMBB-UHFFFAOYSA-Ntert-butyl 2-({2-[(tert-butoxycarbonyl)amino]phenyl} carbamoyl)-1,4,6,7-tetrahydro-5H-pyrrolo[3,2-c]pyridine-5-carboxylatetert-butyl 2-({2-[(tert-butoxycarbonyl)amino]phenyl}carbamoyl)-1,4,6,7-tetrahydro-5H-pyrrolo[3,2-c]pyridine-5-carboxylate
Database identifiers
- PubChem CID
- 66864448
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 729
Related reactions
1 records
Compound notes
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