Name: 2-[4-[3-(tert-butoxycarbonylamino)pyrrolidin-1-yl]-2-(1-tert-butoxycarbonylpiperidin-4-yloxy)-benzoylamino]-N-(5-chloropyridin-2-yl)benzamide
SMILES:
CC(C)(C)OC(=O)NC1CCN(c2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(Cl)cn3)c(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)C1Molecular Processing
Molecular formula
C38H47ClN6O7
Molecular weight
735.28
Exact mass
734.3195
XLogP
7.12
TPSA
151.43
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
52
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.447
Molar refractivity
199.48
Supplementary Information
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