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Basic information
- Standard SMILES
COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OCCNC(=O)OC(C)(C)C)cc3)cc21- InChIKey
HSRBIXMQFJGNPR-UHFFFAOYSA-N- Molecular formula
- C39H49N3O9
- Average molar mass
- 703.8 g/mol
- Monoisotopic mass
- 703.34688015
Names & identifiers
- Preferred name
- Benzyl 4-[4-(2-tert-butoxycarbonylaminoethoxy)phenyl]-3-[4-(3-methoxypropyl)-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]piperidine-1-carboxylate
- IUPAC
- benzyl 3-[[4-(3-methoxypropyl)-3-oxo-1,4-benzoxazin-6-yl]methoxy]-4-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3081461HSRBIXMQFJGNPR-UHFFFAOYSA-NBenzyl 4-[4-(2-tert-butoxycarbonylaminoethoxy)phenyl]-3-[4-(3-methoxypropyl)-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 68504530
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
3 records
Compound notes
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