이름: 1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]-N,N-dimethylpyrrolidin-3-amine
SMILES:
CN(C)C1CCN(C1)CCCOCCC2=CC3=C(C=C2)SC=C3Molecular Processing
Molecular formula
C19H28N2OS
Molecular weight
332.51
Exact mass
332.1922
XLogP
3.49
TPSA
15.71
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
99.5
Supplementary Information
InChIKey: VEFFOZIOKHQMFP-UHFFFAOYSA-N
동의어
SCHEMBL48165VEFFOZIOKHQMFP-UHFFFAOYSA-N1-(3-(2-(1-benzothiophene-5-yl)ethoxy)propyl)-N,N-dimethyl-3-pyrrolidinamine1-{3-[2-(1-benzothiophen-5-yl)ethoxy]propyl}-N,N-dimethyl-3-pyrrolidinamine
5개 반응에 참여→