Name: 1-(t-butoxycarbonyl)-4-(1-(2-(isopropoxy)ethyl)-1H-benzimidazol-2-yl)[1,4]diazepane
SMILES:
CC(C)OCCn1c(N2CCCN(C(=O)OC(C)(C)C)CC2)nc2ccccc21Molecular Processing
Molecular formula
C22H34N4O3
Molecular weight
402.54
Exact mass
402.2631
XLogP
3.91
TPSA
59.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
115.46
Supplementary Information
Details werden geladen…
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