Nombre: ethyl 2-benzyl-4-chloro-5,6,8,9-tetrahydro-pyrimido[4,5-d]azepine-7-carboxylate
SMILES:
CCOC(=O)N1CCc2nc(Cc3ccccc3)nc(Cl)c2CC1Molecular Processing
Molecular formula
C18H20ClN3O2
Molecular weight
345.83
Exact mass
345.1244
XLogP
3.28
TPSA
55.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
92.29
Supplementary Information
Obteniendo detalles…
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