COc1cc2c(cc1Nc1ncc(Cl)c(NC3C4C=CC(C4)C3C(N)=O)n1)CCN(CC(=O)N1CCN(C)CC1)CC2
SMILES: COc1cc2c(cc1Nc1ncc(Cl)c(NC3C4C=CC(C4)C3C(N)=O)n1)CCN(CC(=O)N1CCN(C)CC1)CC2

Molecular Processing

Molecular formula
C30H39ClN8O3
Molecular weight
595.15
Exact mass
594.2834
XLogP
2.14
TPSA
128.95
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
42
Rings
6
Aromatic rings
2
Saturated rings
2
Aliphatic rings
4
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
162.08

Supplementary Information

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