Basic information
- CAS
172877-95-1- Standard SMILES
O=S(=O)(c1ccccc1)n1c2ccccc2c2cn(Cc3ccccc3)cc21- InChIKey
MPGNZGSPRFXSER-UHFFFAOYSA-N- Molecular formula
- C23H18N2O2S
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.10889899
Names & identifiers
- Preferred name
- Pyrrolo[3,4-b]indole, 2,4-dihydro-2-(phenylmethyl)-4-(phenylsulfonyl)-
- IUPAC
- 4-(benzenesulfonyl)-2-benzylpyrrolo[3,4-b]indole
Names & synonyms
Pyrrolo[3,4-b]indole, 2,4-dihydro-2-(phenylmethyl)-4-(phenylsulfonyl)-172877-95-1DTXSID204435914-(Benzenesulfonyl)-2-benzyl-2,4-dihydropyrrolo[3,4-b]indole
Database identifiers
- CAS
172877-95-1- PubChem CID
- 10691553
- DTXSID
DTXSID20443591- Nikkaji
- J691.224I
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 633
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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