SMILES:
CCOC(=O)C(CCCCCCCN1C(=O)c2ccccc2C1=O)NC1CSc2ccccc2N(CC(=O)OC(C)(C)C)C1=OMolecular Processing
Molecular formula
C34H43N3O7S
Molecular weight
637.8
Exact mass
637.2822
XLogP
4.99
TPSA
122.32
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
14
Heavy atoms
45
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
172.22
Supplementary Information
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