Cc1cc2c(cc(NC3CCN(C(=O)OC(C)(C)C)CC3)c3nnc(C)n32)n1Cc1ccccc1
SMILES: Cc1cc2c(cc(NC3CCN(C(=O)OC(C)(C)C)CC3)c3nnc(C)n32)n1Cc1ccccc1

Molecular Processing

Molecular formula
C27H34N6O2
Molecular weight
474.61
Exact mass
474.2743
XLogP
5.16
TPSA
76.69
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
137.95

Supplementary Information

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