Name: 1-cyclobutyl-4-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl}hexahydro-1H-1,4-diazepine
SMILES:
CC1(C)OB(c2ccc(C(=O)N3CCCN(C4CCC4)CC3)cc2)OC1(C)CMolecular Processing
Molecular formula
C22H33BN2O3
Molecular weight
384.33
Exact mass
384.2584
XLogP
2.69
TPSA
42.01
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
111.89
Supplementary Information
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