COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@H]3CC[C@H](N4CC(=O)N(C)C4)CC3)cn1)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)C4)CC3)cn1)C(=O)C2

Molecular Processing

Molecular formula
C36H44ClN5O4
Molecular weight
646.23
Exact mass
645.3082
XLogP
5.94
TPSA
78.45
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
46
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
0.472
Molar refractivity
180.84

Supplementary Information

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