Name: 2-{[(1-cyano-4-hydroxy-7-phenoxy-isoquinoline-3-carbonyl)-amino]-methyl}-2-propyl-pentanoic acid tert-butyl ester
SMILES:
CCCC(CCC)(CNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C30H35N3O5
Molecular weight
517.63
Exact mass
517.2577
XLogP
6.26
TPSA
121.54
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
38
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
145.07
Supplementary Information
Details werden geladen…
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