Basic information
- CAS
1158762-36-7- Standard SMILES
CC(C)(C)OC(=O)N1CCC2CN(C(=O)OCc3ccccc3)CCN2CC1CN- InChIKey
XXHGQVMVTPMTPA-UHFFFAOYSA-N- Molecular formula
- C22H34N4O4
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.25800558
Names & identifiers
- Preferred name
- 8-(1,1-Dimethylethyl) 2-(phenylmethyl) 7-(aminomethyl)octahydropyrazino[1,2-d][1,4]diazepine-2,8-dicarboxylate
- IUPAC
- 2-O-benzyl 8-O-tert-butyl 7-(aminomethyl)-1,3,4,6,7,9,10,10a-octahydropyrazino[1,2-d][1,4]diazepine-2,8-dicarboxylate
Names & synonyms
DTXSID5011084481158762-36-78-(1,1-Dimethylethyl) 2-(phenylmethyl) 7-(aminomethyl)octahydropyrazino[1,2-d][1,4]diazepine-2,8-dicarboxylate
Database identifiers
- CAS
1158762-36-7- PubChem CID
- 165367404
- DTXSID
DTXSID501108448
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 588
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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