名称: rac-{4-[(3S,4R)-3-(3,4-dichloro-phenyl)-4-methylamino-pyrrolidine-1-carbonyl]-piperidin-1-yl}-(1-methyl-cyclopropyl)-methanone
SMILES:
CN[C@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@H]1c1ccc(Cl)c(Cl)c1Molecular Processing
Molecular formula
C22H29Cl2N3O2
Molecular weight
438.4
Exact mass
437.1637
XLogP
3.55
TPSA
52.65
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
115.28
Supplementary Information
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