1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-acetamide, 1,5,6,8-tetrahydro-8-oxo-N-1,3,4-thiadiazol-2-yl-
Basic information
- CAS
1356114-75-4- Standard SMILES
O=C(CN1CC2CC(C1)c1cccc(=O)n1C2)Nc1nncs1- InChIKey
ZOMULWABZIGPKB-UHFFFAOYSA-N- Molecular formula
- C15H17N5O2S
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.11029598
Names & identifiers
- Preferred name
- 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-acetamide, 1,5,6,8-tetrahydro-8-oxo-N-1,3,4-thiadiazol-2-yl-
- IUPAC
- 2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
Names & synonyms
DTXSID201109047STL441707AKOS0374813851,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-acetamide, 1,5,6,8-tetrahydro-8-oxo-N-1,3,4-thiadiazol-2-yl-1356114-75-42-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
Database identifiers
- CAS
1356114-75-4- PubChem CID
- 71830004
- DTXSID
DTXSID201109047
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 578
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Compound notes
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