CC(C)(C)OC(=O)N1CCC(Oc2cc(N3CCCC(O)C3)ccc2C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)CC1
SMILES: CC(C)(C)OC(=O)N1CCC(Oc2cc(N3CCCC(O)C3)ccc2C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)CC1

Molecular Processing

Molecular formula
C34H40ClN5O6
Molecular weight
650.18
Exact mass
649.2667
XLogP
5.98
TPSA
133.33
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
46
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
176.95

Supplementary Information

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