Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(C2=CCN(c3ccccc3)CC2)nc1-c1nc2ccccc2n1C(=O)OC(C)(C)C- InChIKey
JOLWREAGPHAJLG-UHFFFAOYSA-N- Molecular formula
- C37H44N6O6
- Average molar mass
- 668.8 g/mol
- Monoisotopic mass
- 668.33223314
Names & identifiers
- Preferred name
- Tert-butyl 2-(3-(bis(tert-butoxycarbonyl)amino)-6-(1-phenyl-1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl)-1H-benzo[d]imidazole-1-carboxylate
- IUPAC
- tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]benzimidazole-1-carboxylate
Names & synonyms
SCHEMBL616818JOLWREAGPHAJLG-UHFFFAOYSA-NTert-butyl 2-(3-(bis(tert-butoxycarbonyl)amino)-6-(1-phenyl-1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl)-1H-benzo[d]imidazole-1-carboxylate
Database identifiers
- PubChem CID
- 66745113
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
2 records
Compound notes
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