CC[C@H](NC(=O)OCc1ccccc1)c1cc(C)c(C)cc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1
이름: amine
SMILES: CC[C@H](NC(=O)OCc1ccccc1)c1cc(C)c(C)cc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1

Molecular Processing

Molecular formula
C39H49F2N3O3
Molecular weight
645.84
Exact mass
645.3742
XLogP
8.18
TPSA
61.88
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
47
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.487
Molar refractivity
181.18

Supplementary Information

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