Nombre: N-[1-(4-bromophenyl)-2-(1-pyrrolidinyl)ethyl]-2-(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-methylacetamide
SMILES:
CN(C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21)C(CN1CCCC1)c1ccc(Br)cc1Molecular Processing
Molecular formula
C23H24BrCl2N3O3
Molecular weight
541.27
Exact mass
539.0378
XLogP
4.78
TPSA
53.09
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
129.64
Supplementary Information
Obteniendo detalles…
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