(R)-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-6-methyl-8-phenyl-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepin-2-amine

HCID 49820859

Basic information

Standard SMILES
COc1cc(Nc2ncc3c(n2)O[C@H](c2ccccc2)CN(C)C3)ccc1-n1cnc(C)c1
InChIKey
VTEVLPWECNGXBI-QHCPKHFHSA-N
Molecular formula
C25H26N6O2
Average molar mass
442.5 g/mol

Names & identifiers

Preferred name
(R)-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-6-methyl-8-phenyl-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepin-2-amine
IUPAC
(8R)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-phenyl-7,8-dihydro-5H-pyrimido[5,4-f][1,4]oxazepin-2-amine

Names & synonyms

SCHEMBL3749787VTEVLPWECNGXBI-QHCPKHFHSA-N(R)-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-6-methyl-8-phenyl-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepin-2-amine

Database identifiers

PubChem CID
49820859

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
77.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
33

Related reactions

7 records

Linked notes

Loading…