(R)-N-(3-Methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-4-methyl-2-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine

HCID 49819232
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(Nc2ccc3c(n2)O[C@H](c2ccccc2)CN(C)C3)ccc1-n1cnc(C)n1
InChIKey
KVLCXPDFTQEDSE-QHCPKHFHSA-N
Molecular formula
C25H26N6O2
Average molar mass
442.5 g/mol

Names & identifiers

Preferred name
(R)-N-(3-Methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-4-methyl-2-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine
IUPAC
(2R)-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-methyl-2-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine

Names & synonyms

SCHEMBL3747282KVLCXPDFTQEDSE-QHCPKHFHSA-N(R)-N-(3-Methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-4-methyl-2-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine

Database identifiers

PubChem CID
49819232

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
77.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
33

Related reactions

1 records
New reaction record

Linked notes

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