CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)N4CCC5(CCN(C(=O)OC(C)(C)C)CC5)C4)cc3)oc12
SMILES: CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)N4CCC5(CCN(C(=O)OC(C)(C)C)CC5)C4)cc3)oc12

Molecular Processing

Molecular formula
C31H36N4O4
Molecular weight
528.65
Exact mass
528.2737
XLogP
6.35
TPSA
99.67
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.484
Molar refractivity
148.24

Supplementary Information

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