Nombre: 3-[5′-bromo-2′-(5-fluoro-2,3-dihydro-indole-1-carbonyl)-3,4,5,6-tetrahydro-2H-[1,4′]bipyridinyl-4-yl]-7-methoxy-1,3,4,5-tetrahydro-benzo[d][1,3]diazepin-2-one
SMILES:
COc1ccc2c(c1)CCN(C1CCN(c3cc(C(=O)N4CCc5cc(F)ccc54)ncc3Br)CC1)C(=O)N2Molecular Processing
Molecular formula
C29H29BrFN5O3
Molecular weight
594.49
Exact mass
593.1438
XLogP
5.25
TPSA
78.01
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
39
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
151.38
Supplementary Information
Obteniendo detalles…
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