Basic information
- Standard SMILES
Cc1cnc2c(c1)c1c(n2CC(O)c2ccncc2)CCN2CCCC12- InChIKey
REEVUYSMAUDWSI-UHFFFAOYSA-N- Molecular formula
- C21H24N4O
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.1950114
Names & identifiers
- Preferred name
- 2-(9-Methyl-1,2,3,4,5,10c-hexahydro-3a,6,7-triaza-cyclopenta[c]fluoren-6-yl)-1-pyridin-4-yl-ethanol
- IUPAC
- 2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol
Names & synonyms
SCHEMBL12479629REEVUYSMAUDWSI-UHFFFAOYSA-N2-(9-Methyl-1,2,3,4,5,10c-hexahydro-3a,6,7-triaza-cyclopenta[c]fluoren-6-yl)-1-pyridin-4-yl-ethanol
Database identifiers
- PubChem CID
- 68283389
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 54.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 496
Related reactions
3 records
Compound notes
Loading…