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Basic information
- Standard SMILES
CCC1=C2CC(N(C)C)C3=C2C(=CN1S(=O)(=O)c1ccccc1)C=COC3- InChIKey
UDGVLCLYYTWNQM-UHFFFAOYSA-N- Molecular formula
- C21H24N2O3S
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.15076381
Names & identifiers
- Preferred name
- (2-Benzenesulfonyl-1-ethyl-2,7,8,9-tetrahydro-6-oxa-2-azabenzo[cd]azulen-8-yl)dimethylamine
- IUPAC
- 6-(benzenesulfonyl)-5-ethyl-N,N-dimethyl-11-oxa-6-azatricyclo[6.4.1.04,13]trideca-1(13),4,7,9-tetraen-2-amine
Names & synonyms
SCHEMBL6304151UDGVLCLYYTWNQM-UHFFFAOYSA-N(2-Benzenesulfonyl-1-ethyl-2,7,8,9-tetrahydro-6-oxa-2-azabenzo[cd]azulen-8-yl)dimethylamine
Database identifiers
- PubChem CID
- 69736339
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 837
Related reactions
4 records
Compound notes
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