Nom: 2-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-5-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboxylic acid
SMILES:
O=C(O)c1cc(-c2nccs2)[nH]c1C(CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1Molecular Processing
Molecular formula
C24H26N2O5S2
Molecular weight
486.62
Exact mass
486.1283
XLogP
4.72
TPSA
109.35
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
125.51
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→