Basic information
- Standard SMILES
Cc1nc(OCCCc2cccnc2)c([N+](=O)[O-])c(N2CCc3ccccc3CC2)n1- InChIKey
VNXIZGKIMUMQPX-UHFFFAOYSA-N- Molecular formula
- C23H25N5O3
- Average molar mass
- 419.5 g/mol
Names & identifiers
- Preferred name
- 3-[2-Methyl-5-nitro-6-(3-pyridin-3-ylpropoxy)pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine
- IUPAC
- 3-[2-methyl-5-nitro-6-(3-pyridin-3-ylpropoxy)pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine
Names & synonyms
SCHEMBL6955543
Database identifiers
- PubChem CID
- 22004083
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 558
Related reactions
1 records
Compound notes
Loading…