Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methylphenyl)-
Basic information
- CAS
134616-49-2- Standard SMILES
Cc1ccc(N2C(=O)CC3Sc4ccccc4N=C32)cc1- InChIKey
VVLJHQDFGBLWQO-UHFFFAOYSA-N- Molecular formula
- C17H14N2OS
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.08268425
Names & identifiers
- Preferred name
- Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methylphenyl)-
- IUPAC
- 1-(4-methylphenyl)-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-one
Names & synonyms
BRN 4816731134616-49-2Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methylphenyl)-RefChem:3782671-(4-Methylphenyl)-3,3a-dihydropyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one1-(4-Methylphenyl)-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-2(1H)-oneDTXSID20928691
Database identifiers
- CAS
134616-49-2- PubChem CID
- 3077526
- DTXSID
DTXSID20928691
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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