COc1ccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1
이름: (R)-quinuclidin-3-yl 2-(4-methoxybenzylamino)-2-phenylacetate
SMILES: COc1ccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1

Molecular Processing

Molecular formula
C23H28N2O3
Molecular weight
380.49
Exact mass
380.21
XLogP
3.16
TPSA
50.8
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
28
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
108.06

Supplementary Information

상세 정보 불러오는 중…

2개 반응에 참여