CCOC(=O)COc1ccc(C(C)C)cc1CN1CCN(S(=O)(=O)c2ccccc2)CC1
名称: product
SMILES: CCOC(=O)COc1ccc(C(C)C)cc1CN1CCN(S(=O)(=O)c2ccccc2)CC1

Molecular Processing

Molecular formula
C24H32N2O5S
Molecular weight
460.6
Exact mass
460.2032
XLogP
3.26
TPSA
76.15
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
123.14

Supplementary Information

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