名称: tert-butyl 4-[4-[(7-cyanonaphthalen-2-yl)methylamino]phenoxy]piperidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)NCC3=CC4=C(C=C3)C=CC(=C4)C#NMolecular Processing
Molecular formula
C28H31N3O3
Molecular weight
457.57
Exact mass
457.2365
XLogP
6.1
TPSA
74.59
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
133.89
Supplementary Information
InChIKey: PECNQHUAAPIQQO-UHFFFAOYSA-N
同義語
SCHEMBL6954502PECNQHUAAPIQQO-UHFFFAOYSA-N7-[[4-[(1-t-butoxycarbonyl-4-piperidyl)oxy]anilino]methyl]-2-naphthalenecarbonitrile
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