Basic information
- Standard SMILES
Cc1noc(C)c1-c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1- InChIKey
LMPFZGCXCSCBKN-UHFFFAOYSA-N- Molecular formula
- C24H27N3O2
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.21032711
Names & identifiers
- Preferred name
- 3-Cyclobutyl-7-{[5-(3,5-dimethyl-4-isoxazolyl)-2-pyridinyl]oxy}-2,3,4,5-tetrahydro-1H-3-benzazepine
- IUPAC
- 4-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
Names & synonyms
CHEMBL3092835SCHEMBL3081331LMPFZGCXCSCBKN-UHFFFAOYSA-NBDBM504444993-Cyclobutyl-7-{[5-(3,5-dimethyl-4-isoxazolyl)-2-pyridinyl]oxy}-2,3,4,5-tetrahydro-1H -3-benzazepine3-Cyclobutyl-7-{[5-(3,5-dimethyl-4-isoxazolyl)-2-pyridinyl]oxy}-2,3,4,5-tetrahydro-1H-3-benzazepine
Database identifiers
- PubChem CID
- 9977652
- ChEMBL
CHEMBL3092835
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 51.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 542
Related reactions
5 records
Compound notes
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