SMILES:
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)CC1Molecular Processing
Molecular formula
C40H49N5O5S
Molecular weight
711.93
Exact mass
711.3454
XLogP
6.99
TPSA
113.84
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
51
Rings
7
Aromatic rings
4
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.475
Molar refractivity
197.13
Supplementary Information
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