名称: (S)-tert-Butyl 2-(4-chlorophenyl)-3-(4-(5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl)-3-oxopropyl(isopropyl)carbamate
SMILES:
CC(C)N(C[C@@H](C(=O)N1CCN(c2c(-c3ccc(F)cc3)cnc3[nH]ccc23)CC1)c1ccc(Cl)cc1)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C34H39ClFN5O3
Molecular weight
620.17
Exact mass
619.2725
XLogP
7.1
TPSA
81.77
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
44
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.382
Molar refractivity
172.55
Supplementary Information
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