Basic information
- Standard SMILES
C[C@H](NC(=O)OC(C)(C)C)c1nc2ccn(C)c2cc1C1=CCOCC1- InChIKey
BYSNETJLBWLDIZ-ZDUSSCGKSA-N- Molecular formula
- C20H27N3O3
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.20524173
Names & identifiers
- Preferred name
- (S)-tert-Butyl (1-(6-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl)carbamate
- IUPAC
- tert-butyl N-[(1S)-1-[6-(3,6-dihydro-2H-pyran-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
Names & synonyms
SCHEMBL15426153BYSNETJLBWLDIZ-ZDUSSCGKSA-N(S)-tert-Butyl (1-(6-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl)carbamate
Database identifiers
- PubChem CID
- 86708002
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 543
Related reactions
2 records
Compound notes
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