COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@H]3CC[C@H](N4CC(=O)N(C(C)C)C4)CC3)nc1)C(=O)C2
SMILES: COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@H]3CC[C@H](N4CC(=O)N(C(C)C)C4)CC3)nc1)C(=O)C2

Molecular Processing

Molecular formula
C38H48ClN5O4
Molecular weight
674.29
Exact mass
673.3395
XLogP
6.71
TPSA
78.45
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
48
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
190.05

Supplementary Information

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