CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(CN3CCN(CCOCCO)CC3)ccc21
SMILES: CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(CN3CCN(CCOCCO)CC3)ccc21

Molecular Processing

Molecular formula
C30H37ClN4O5
Molecular weight
569.1
Exact mass
568.2452
XLogP
4.11
TPSA
96.27
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
154.81

Supplementary Information

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