Nom: 2-(2-(1-(tert-butoxycarbonyl)pyrrolidin-3-yloxy)phenyl)-1H-benzo[d]imidazole-4-carboxylic acid
SMILES:
CC(C)(C)OC(=O)N1CCC(Oc2ccccc2-c2nc3c(C(=O)O)cccc3[nH]2)C1Molecular Processing
Molecular formula
C23H25N3O5
Molecular weight
423.47
Exact mass
423.1794
XLogP
4.32
TPSA
104.75
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
115.33
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→