3-Cyclobutyl-7-{[5-(3,5-dimethyl-4-isoxazolyl)-2-pyridinyl]oxy}-2,3,4,5-tetrahydro-1H-3-benzazepine

HCID 9977652

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

Related reactions

5 records

Compound notes

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