c1cc(-n2cc3c(n2)CCN(C2CCC2)CC3)ccc1N1CCOCC1
SMILES: c1cc(-n2cc3c(n2)CCN(C2CCC2)CC3)ccc1N1CCOCC1

Molecular Processing

Molecular formula
C21H28N4O
Molecular weight
352.48
Exact mass
352.2263
XLogP
2.66
TPSA
33.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
103.22

Supplementary Information

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