Basic information
- Standard SMILES
CC12CCC(c3nc(-c4ccccc4)nnc31)C(C)(C)O2- InChIKey
GGSQPXUIROUJER-UHFFFAOYSA-N- Molecular formula
- C17H19N3O
- Average molar mass
- 281.35 g/mol
- Monoisotopic mass
- 281.15281224
Names & identifiers
- Preferred name
- 3-phenyl-5,8-dihydro-6,6,8-trimethyl-5,8-ethano-6H-pyrano[4,3-e]-as-triazine
- IUPAC
- 1,9,9-trimethyl-5-phenyl-10-oxa-3,4,6-triazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
Names & synonyms
SCHEMBL11447926GGSQPXUIROUJER-UHFFFAOYSA-N3-phenyl-5,8-dihydro-6,6,8-trimethyl-5,8-ethano-6H-pyrano[4,3-e]-as-triazine
Database identifiers
- PubChem CID
- 21856946
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 407
Related reactions
1 records
Compound notes
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