Nombre: 2-[5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]ethyl methanesulfonate
SMILES:
CS(=O)(=O)OCCC1=CC2=C(O1)C=CC(=C2)C3=NC=C(C=C3)C(=O)N4CCOCC4Molecular Processing
Molecular formula
C21H22N2O6S
Molecular weight
430.48
Exact mass
430.1199
XLogP
2.49
TPSA
98.94
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
110.67
Supplementary Information
InChIKey: MXIVHNXPFSRKDZ-UHFFFAOYSA-N
Sinónimos
SCHEMBL2784934MXIVHNXPFSRKDZ-UHFFFAOYSA-N2-{5-[5-(4-morpholinylcarbonyl)-2-pyridinyl]-1-benzofuran-2-yl}ethyl methanesulfonate
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