이름: (R)-tert-Butyl 1-(5-chloro-3-(cyclopropanecarboxamido)-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl(methyl)carbamate
SMILES:
CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)C4CC4)c23)C1Molecular Processing
Molecular formula
C22H30ClN5O3
Molecular weight
447.97
Exact mass
447.2037
XLogP
4.4
TPSA
90.56
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
121.69
Supplementary Information
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