Nombre: 3-(2,2-Difluoro-ethyl)-8-methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamine
SMILES:
COc1cc2c(cc1N)CCN(CC(F)F)CC2Molecular Processing
Molecular formula
C13H18F2N2O
Molecular weight
256.3
Exact mass
256.1387
XLogP
1.94
TPSA
38.49
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
67.26
Supplementary Information
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