Nombre: 2-bromo-9-(2-chloro-3,6-difluorobenzyl)-6,7,8,9-tetrahydro-5H-pyrazino[2,3-b][1,4]diazepine
SMILES:
Fc1ccc(F)c(CN2CCCNc3ncc(Br)nc32)c1ClMolecular Processing
Molecular formula
C14H12BrClF2N4
Molecular weight
389.63
Exact mass
387.9902
XLogP
3.99
TPSA
41.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
85.26
Supplementary Information
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