이름: (5R,7R)-4-(1′-benzyl-4-((tert-butoxycarbonylamino)methyl)spiro[indoline-3,4′-piperidine]-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-yl 4-nitrobenzoate
SMILES:
C[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ncnc(N3CC4(CCN(Cc5ccccc5)CC4)c4c(CNC(=O)OC(C)(C)C)cccc43)c21Molecular Processing
Molecular formula
C40H44N6O6
Molecular weight
704.83
Exact mass
704.3322
XLogP
7.5
TPSA
140.03
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
52
Rings
7
Aromatic rings
4
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
195.47
Supplementary Information
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