CCCOC1CC(N(C1)C(=O)OC(C)(C)C)C(C(CC2=CC(=CC(=C2)F)F)NC(=O)C3=CC(=CC(=C3)Br)C(=O)OC)O[Si](C)(C)C(C)(C)C
名称: tert-butyl (2R,4R)-2-[(1S,2S)-2-[(3-bromo-5-methoxycarbonylbenzoyl)amino]-1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-difluorophenyl)propyl]-4-propoxypyrrolidine-1-carboxylate
SMILES: CCCOC1CC(N(C1)C(=O)OC(C)(C)C)C(C(CC2=CC(=CC(=C2)F)F)NC(=O)C3=CC(=CC(=C3)Br)C(=O)OC)O[Si](C)(C)C(C)(C)C

Molecular Processing

Molecular formula
C36H51BrF2N2O7Si
Molecular weight
769.8
Exact mass
768.2617
XLogP
8.05
TPSA
103.4
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
49
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
190.24

Supplementary Information

InChIKey: DZIAYACLTRHCPJ-ITGKQZKFSA-N
同義語
SCHEMBL2203323DZIAYACLTRHCPJ-ITGKQZKFSA-N(2R,4R)-tert-butyl 2-((1S,2S)-2-(3-bromo-5-(methoxycarbonyl)benzamido)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)propyl)-4-propoxypyrrolidine-1-carboxylate
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