8-{4-[3-(2-Methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-6,7-dihydro-5H-1,4,8a-triaza-s-indacene
Basic information
- Standard SMILES
CC1CCCN1CCCOc1ccc(-c2c3c(nc4ccnn24)CCC3)cc1- InChIKey
PVDUTNZTRMNFBJ-UHFFFAOYSA-N- Molecular formula
- C23H28N4O
- Average molar mass
- 376.5 g/mol
Names & identifiers
- Preferred name
- 8-{4-[3-(2-Methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-6,7-dihydro-5H-1,4,8a-triaza-s-indacene
- IUPAC
- 2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
Names & synonyms
SCHEMBL4955257PVDUTNZTRMNFBJ-UHFFFAOYSA-N8-{4-[3-(2-Methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-6,7-dihydro-5H-1,4,8a-triaza-s-indacene
Database identifiers
- PubChem CID
- 11675228
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 509
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Related reactions
2 records
Compound notes
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