COCN1CCN(CCn2c3ccccc3n3c(=O)c(OC(C)=O)c(C(=O)OC)nc23)CC1
SMILES: COCN1CCN(CCn2c3ccccc3n3c(=O)c(OC(C)=O)c(C(=O)OC)nc23)CC1

Molecular Processing

Molecular formula
C22H27N5O6
Molecular weight
457.49
Exact mass
457.1961
XLogP
0.58
TPSA
107.61
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
119.5

Supplementary Information

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