B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC(CC3)CN(CC4=CC=CC=C4)CC(COC5=CC=CC=C5)O[Si](C)(C)C(C)(C)C
이름: (2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxy-N-[[(2R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-chromen-2-yl]methyl]propan-1-amine
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC(CC3)CN(CC4=CC=CC=C4)CC(COC5=CC=CC=C5)O[Si](C)(C)C(C)(C)C

Molecular Processing

Molecular formula
C38H54BNO5Si
Molecular weight
643.75
Exact mass
643.3864
XLogP
7.65
TPSA
49.39
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
46
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
190.62

Supplementary Information

InChIKey: SDSLOZVAHSEWAR-NOCHOARKSA-N
동의어
SCHEMBL6494200SDSLOZVAHSEWAR-NOCHOARKSA-N(2S)-N-{[(2R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl )-3,4-dihydro-2H-chromen-2-yl]methyl}-2-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}-N-(phenylmethyl)-3-(phenyloxy)-1-propanamine(2S)-N-{[(2R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-chromen-2-yl]methyl}-2-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}-N-(phenylmethyl)-3-(phenyloxy)-1-propanamine(2S)-N-benzyl-2-{[tert-butyl(dimethyl)silyl]oxy}-3-phenoxy-N-{[(2R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-chromen-2-yl]methyl}propan-1-amine
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