CC(C)(C)OC(=O)NC1CC(C(=O)N(Cc2ccccc2Cl)C2CC2)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1
SMILES: CC(C)(C)OC(=O)NC1CC(C(=O)N(Cc2ccccc2Cl)C2CC2)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1

Molecular Processing

Molecular formula
C36H40ClN3O5
Molecular weight
630.19
Exact mass
629.2656
XLogP
7
TPSA
88.18
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
45
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
172.93

Supplementary Information

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