Name: 3-{1-[6-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-carbonyl)-pyrimidin-4-yl]-piperidin-4-yl}-7-methoxy-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one
SMILES:
COc1ccc2c(c1)CCN(C1CCN(c3cc(C(=O)N4CCc5ncc(Br)cc5C4)ncn3)CC1)C(=O)N2Molecular Processing
Molecular formula
C28H30BrN7O3
Molecular weight
592.5
Exact mass
591.1593
XLogP
3.9
TPSA
103.79
H-bond donors
1
H-bond acceptors
7
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
11
Covalent units
1
Fraction Csp3
0.393
Molar refractivity
150.07
Supplementary Information
Details werden geladen…
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