20-(Cyclopropylmethyl)-3,20-diazapentacyclo[10.5.3.01,13.02,10.04,9]icosa-2(10),4,6,8-tetraene
Basic information
- CAS
15686-38-1- Standard SMILES
c1ccc2c3c([nH]c2c1)C12CCCCC1C(C3)N(CC1CC1)CC2- InChIKey
MMGJNINGVUMRFI-UHFFFAOYSA-N- Molecular formula
- C22H28N2
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.2252489
Names & identifiers
- Preferred name
- 20-(Cyclopropylmethyl)-3,20-diazapentacyclo[10.5.3.01,13.02,10.04,9]icosa-2(10),4,6,8-tetraene
- IUPAC
- 20-(cyclopropylmethyl)-3,20-diazapentacyclo[10.5.3.01,13.02,10.04,9]icosa-2(10),4,6,8-tetraene
Names & synonyms
orb2815733SCHEMBL2110091CHEMBL210407320-(cyclopropylmethyl)-3,20-diazapentacyclo[10.5.3.01,13.02,10.04,9]icosa-2(10),4,6,8-tetraeneNS00123504T201973Q5037841
Database identifiers
- CAS
15686-38-1- PubChem CID
- 27442
- ChEMBL
CHEMBL2104073
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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