CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CCCCCNc1ccc(CC(=O)N(C)CCCN(C)C(=O)COC2Cc3ccccc3C23CCN(CCC2(c4ccc(F)cc4)CN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CO2)CC3)cc1
SMILES: CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CCCCCNc1ccc(CC(=O)N(C)CCCN(C)C(=O)COC2Cc3ccccc3C23CCN(CCC2(c4ccc(F)cc4)CN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CO2)CC3)cc1

Molecular Processing

Molecular formula
C75H87F7N8O8
Molecular weight
1361.55
Exact mass
1360.6535
XLogP
12.91
TPSA
156.54
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
27
Heavy atoms
98
Rings
10
Aromatic rings
6
Saturated rings
3
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
23
Covalent units
1
Fraction Csp3
0.453
Molar refractivity
359.44

Supplementary Information

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