C1CC2(CCC3(CC2)OCCO3)N(C1)CC4=CC=CC=C4
CAS: 1202072-51-2
Nom: 4-benzyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane
SMILES: C1CC2(CCC3(CC2)OCCO3)N(C1)CC4=CC=CC=C4

Molecular Processing

Molecular formula
C18H25NO2
Molecular weight
287.4
Exact mass
287.1885
XLogP
3.34
TPSA
21.7
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
81.92

Supplementary Information

InChIKey: ZWGJYTRWQOVFPT-UHFFFAOYSA-N
Synonymes
1202072-51-29-(Phenylmethyl)-1,4-dioxa-9-azadispiro[4.2.4.2]tetradecane9-benzyl-1,4-dioxa-9-aza-dispiro[4.2.4.2]tetradecane4-benzyl-9,12-dioxa-4-azadispiro[4.2.4.2]tetradecane4-benzyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane1,4-Dioxa-9-azadispiro[4.2.4.2]tetradecane, 9-(phenylmethyl)-SCHEMBL1557254ZWGJYTRWQOVFPT-UHFFFAOYSA-NDTXSID001187524SB75247CS-0185431D966084-benzyl-9,12-dioxa-4-azadispiro[4.2.4.2tetradecane4-Benzyl-9,12-dioxa-4-azadispiro[4.2.4?.2?]tetradecane9-benzyl-1,4-dioxa-9-azadispiro[4.2.4?.2?]tetradecane9-Benzyl-1,4-dioxa-9-azadispiro[4.2.4~8~.2~5~]tetradecane9-BENZYL-1,4-DIOXA-9-AZADISPIRO[4.2.4(8).2(5)]TETRADECANE
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Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→