(1S,5R)-1,2,3,4,5,6-Hexahydro-3-(1-naphthalenylsulfonyl)-1,5-methano-10H-pyrido[1,2-d][1,4]diazocin-10-one
Basic information
- CAS
881386-10-3- Standard SMILES
O=c1cccc2n1[C@H]1C[C@H](C2)CN(S(=O)(=O)c2cccc3ccccc23)C1- InChIKey
QCRSZRIIQNHKNC-YJBOKZPZSA-N- Molecular formula
- C21H20N2O3S
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.11946368
Names & identifiers
- Preferred name
- (1S,5R)-1,2,3,4,5,6-Hexahydro-3-(1-naphthalenylsulfonyl)-1,5-methano-10H-pyrido[1,2-d][1,4]diazocin-10-one
- IUPAC
- (1S,9R)-11-naphthalen-1-ylsulfonyl-2,11-diazatricyclo[7.3.1.02,7]trideca-4,6-dien-3-one
Names & synonyms
DTXSID501110221(1S,5R)-1,2,3,4,5,6-Hexahydro-3-(1-naphthalenylsulfonyl)-1,5-methano-10H-pyrido[1,2-d][1,4]diazocin-10-one881386-10-3
Database identifiers
- CAS
881386-10-3- PubChem CID
- 165367602
- DTXSID
DTXSID501110221
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 782
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…