Basic information
- CAS
22000-66-4- Standard SMILES
CN1CCN(C2=Nc3ccccc3Oc3ccc(S(C)(=O)=O)cc32)CC1- InChIKey
QFOCNZMYTYHYNX-UHFFFAOYSA-N- Molecular formula
- C19H21N3O3S
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.13036271
Names & identifiers
- Preferred name
- DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)-
- IUPAC
- 6-(4-methylpiperazin-1-yl)-8-methylsulfonylbenzo[b][1,4]benzoxazepine
Names & synonyms
DIBENZ(b,f)(1,4)OXAZEPINE, 11-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)-22000-66-411-(4-Methyl-1-piperazinyl)-2-(methylsulfonyl)dibenz(b,f)(1,4)oxazepineBRN 058243711-(4-Methyl-1-piperazinyl)-2-(methylsulfonyl)dibenz[b,f][1,4]oxazepineDibenz[b,f][1,4]oxazepine, 11-(4-methyl-1-piperazinyl)-2-(methylsulfonyl)-DYL8GY448YSCHEMBL7407466DTXSID00176436Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)-2-(methylsulfonyl)Dibenz(b,f)(1,4)oxazepine,11-(4-methyl-1-piperazinyl)-2-(methylsulfonyl)2-(Methanesulfonyl)-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine
Database identifiers
- CAS
22000-66-4- PubChem CID
- 30894
- DTXSID
DTXSID00176436- UNII
- DYL8GY448Y
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 637
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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