CC(C)(C)S(=O)(=O)NC1CCN(c2nc3ccc(-c4ccccc4)cc3[nH]2)CC1
SMILES: CC(C)(C)S(=O)(=O)NC1CCN(c2nc3ccc(-c4ccccc4)cc3[nH]2)CC1

Molecular Processing

Molecular formula
C22H28N4O2S
Molecular weight
412.56
Exact mass
412.1933
XLogP
3.92
TPSA
78.09
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
118.57

Supplementary Information

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