N,N-diethyl-6,6-dioxo-7-oxa-6lambda6-thiatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-amine
Basic information
- CAS
65422-21-1- Standard SMILES
CCN(CC)C1CS(=O)(=O)OC2=C1Cc1ccccc1CC2- InChIKey
YAZHHVGPZBIBPV-UHFFFAOYSA-N- Molecular formula
- C17H23NO3S
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.13986477
Names & identifiers
- Preferred name
- N,N-diethyl-6,6-dioxo-7-oxa-6lambda6-thiatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-amine
- IUPAC
- N,N-diethyl-6,6-dioxo-7-oxa-6λ6-thiatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),11,13-tetraen-4-amine
Names & synonyms
NSC30061565422-21-1DTXSID10316200NSC-3006154-(Diethylamino)-4,5,10,11-tetrahydro-2lambda~6~-benzo[5,6]cyclohepta[1,2-e][1,2]oxathiine-2,2(3H)-dione
Database identifiers
- CAS
65422-21-1- PubChem CID
- 327113
- DTXSID
DTXSID10316200
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 531
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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