名称: N-[1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide
SMILES:
CNC(CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)C(CC3=CC=CC=C3)C(=O)N4CCCC4CN(C)CMolecular Processing
Molecular formula
C31H40N4O2
Molecular weight
500.69
Exact mass
500.3151
XLogP
3.59
TPSA
55.89
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.419
Molar refractivity
150.49
Supplementary Information
InChIKey: PNZXTZHRPMZLMQ-UHFFFAOYSA-N
出典を見る →1 件の反応に参加→