CC(=O)NC1(C#Cc2ccc([C@H](C)N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)CCCCC1
SMILES: CC(=O)NC1(C#Cc2ccc([C@H](C)N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)CCCCC1

Molecular Processing

Molecular formula
C32H40N2O4
Molecular weight
516.68
Exact mass
516.2988
XLogP
5.84
TPSA
78.87
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
38
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
148.21

Supplementary Information

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