CC1(C)CN(CC(=O)N[C@H]2CC[C@H](O)CC2)C(C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1
SMILES: CC1(C)CN(CC(=O)N[C@H]2CC[C@H](O)CC2)C(C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1

Molecular Processing

Molecular formula
C26H32ClN5O4
Molecular weight
514.03
Exact mass
513.2143
XLogP
3.21
TPSA
119.58
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
139.04

Supplementary Information

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