Basic information
- CAS
80202-83-1- Standard SMILES
CC[C@H]1[C@@H]2C[C@H]3[C@@H]4Nc5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O- InChIKey
VAOXSMUPPRUEKF-FJAUVILBSA-N- Molecular formula
- C21H26N2O3
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.1943427
Names & identifiers
- Preferred name
- [(1R,9R,10S,12R,13S,14R,16S,17R,18R)-13-ethyl-14-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] acetate
- IUPAC
- [(1R,9R,10S,12R,13S,14R,16S,17R,18R)-13-ethyl-14-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] acetate
Names & synonyms
DTXSID20134305380202-83-1
Database identifiers
- CAS
80202-83-1- PubChem CID
- 102420134
- DTXSID
DTXSID201343053
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 641
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…