Name: 1,1-dimethylethyl (4-[4-(1-benzofuran-5-yl)phenyl]-3-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate
SMILES:
CC(C)(C)OC(=O)Cn1nc(C[C@@H]2CCN(C(=O)C3CC3)C2)n(-c2ccc(-c3ccc4occc4c3)cc2)c1=OMolecular Processing
Molecular formula
C31H34N4O5
Molecular weight
542.64
Exact mass
542.2529
XLogP
4.59
TPSA
99.57
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
40
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.419
Molar refractivity
149.99
Supplementary Information
Details werden geladen…
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