Cc1c(N2C(=O)CC3C(OC(=O)c4ccccc4)CCC32)ccc(C#N)c1Cl
SMILES: Cc1c(N2C(=O)CC3C(OC(=O)c4ccccc4)CCC32)ccc(C#N)c1Cl

Molecular Processing

Molecular formula
C22H19ClN2O3
Molecular weight
394.86
Exact mass
394.1084
XLogP
4.26
TPSA
70.4
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
105.16

Supplementary Information

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