Basic information
- Standard SMILES
Cc1c(C(=O)N2CCCN(CCO)CC2)nn(C)c1-c1ccccc1-c1cc2ccccc2o1- InChIKey
KEKJDGYFYOWPJI-UHFFFAOYSA-N- Molecular formula
- C27H30N4O3
- Average molar mass
- 458.6 g/mol
- Monoisotopic mass
- 458.23179083
Names & identifiers
- Preferred name
- [5-(3-benzofuran-2-yl-phenyl)-1,4-dimethyl-1H-pyrazol-3-yl]-[4-(2-hydroxy-ethyl)-[1,4]diazepan-1-yl]-methanone
- IUPAC
- [5-[2-(1-benzofuran-2-yl)phenyl]-1,4-dimethylpyrazol-3-yl]-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
Names & synonyms
SCHEMBL2200712KEKJDGYFYOWPJI-UHFFFAOYSA-N[5-(3-benzofuran-2-yl-phenyl)-1,4-dimethyl-1H-pyrazol-3-yl]-[4-(2-hydroxy-ethyl)-[1,4]diazepan-1-yl]-methanone
Database identifiers
- PubChem CID
- 67314874
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 693
Related reactions
2 records
Compound notes
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