Basic information
- CAS
136772-40-2- Standard SMILES
CN1CCN(C2=Nc3cnccc3Sc3ccccc32)CC1- InChIKey
GCTKZGZNZBTSIN-UHFFFAOYSA-N- Molecular formula
- C17H18N4S
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.12521776
Names & identifiers
- Preferred name
- 10-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine
- IUPAC
- 6-(4-methylpiperazin-1-yl)pyrido[4,3-b][1,4]benzothiazepine
- English name
- 10-(4-methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine
- Molecular weight
- 0
Names & synonyms
136772-40-210-(4-Methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepineDTXSID3015991910-(4-METHYLPIPERAZIN-1-YL)PYRIDO[4,3-B][1,4]BENZOTHIAZEPINERefChem:77420DTXCID8082410CHEMBL151263JL3 Compound6-(4-methylpiperazin-1-yl)pyrido[4,3-b][1,4]benzothiazepineSCHEMBL140462SCHEMBL29407324BDBM50407283
Database identifiers
- CAS
136772-40-2- PubChem CID
- 131990
- DTXSID
DTXSID30159919- ChEMBL
CHEMBL151263- Nikkaji
- J766.005G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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