Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)-
Basic information
- CAS
2694-32-8- Standard SMILES
COc1ccc(N2C(=O)CC3Sc4ccccc4N=C32)cc1- InChIKey
WIEJDKDHMZHBGX-UHFFFAOYSA-N- Molecular formula
- C17H14N2O2S
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.07759887
Names & identifiers
- Preferred name
- Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)-
- IUPAC
- 1-(4-methoxyphenyl)-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-one
Names & synonyms
BRN 10225272694-32-8Pyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one, 3,3a-dihydro-1-(4-methoxyphenyl)-RefChem:3782661-(4-Methoxyphenyl)-3,3a-dihydropyrrolo(3,2-b)(1,4)benzothiazin-2(1H)-one1-(4-Methoxyphenyl)-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-2(1H)-oneDTXSID40949722
Database identifiers
- CAS
2694-32-8- PubChem CID
- 200772
- DTXSID
DTXSID40949722
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 473
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Compound notes
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