الاسم: N-(3-cyclopentyl-1-hydroxy-1,3-dihydro-benzo[c][1,2]oxaborol-6-yl)-2-trifluoromethyl-benzamide
SMILES:
O=C(Nc1ccc2c(c1)B(O)OC2C1CCCC1)c1ccccc1C(F)(F)FMolecular Processing
Molecular formula
C20H19BF3NO3
Molecular weight
389.18
Exact mass
389.141
XLogP
3.91
TPSA
58.56
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
99.23
Supplementary Information
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