이름: [3-methyl-4-(tetrahydro-pyran-2-yloxy)-benzyl]-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine
SMILES:
Cc1cc(CNc2ccc(OCCN3CCCC3)cc2)ccc1OC1CCCCO1Molecular Processing
Molecular formula
C25H34N2O3
Molecular weight
410.56
Exact mass
410.2569
XLogP
4.99
TPSA
42.96
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.52
Molar refractivity
120.34
Supplementary Information
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