이름: (3S)-tert-butyl 3-(1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-ylamino)piperidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc3c(cnn3C3CCCCO3)c2)C1Molecular Processing
Molecular formula
C22H32N4O3
Molecular weight
400.52
Exact mass
400.2474
XLogP
4.55
TPSA
68.62
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
113.02
Supplementary Information
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