CC(=O)N1C=C(c2ccccc2)N(CC(=O)NC(Cc2ccccc2)C(=O)C2=NC(C)(C)CO2)C(=O)C1C(C)C
SMILES: CC(=O)N1C=C(c2ccccc2)N(CC(=O)NC(Cc2ccccc2)C(=O)C2=NC(C)(C)CO2)C(=O)C1C(C)C

Molecular Processing

Molecular formula
C31H36N4O5
Molecular weight
544.65
Exact mass
544.2686
XLogP
3.2
TPSA
108.38
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
40
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.387
Molar refractivity
151.83

Supplementary Information

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