Name: {5-cyclopropyl-6-[(4-methoxybenzyl)oxy]pyridin-2-yl}[4-(cyclopropylsulfanyl)phenyl]methanol
SMILES:
COc1ccc(COc2nc(C(O)c3ccc(SC4CC4)cc3)ccc2C2CC2)cc1Molecular Processing
Molecular formula
C26H27NO3S
Molecular weight
433.57
Exact mass
433.1712
XLogP
5.88
TPSA
51.58
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
122.92
Supplementary Information
Details werden geladen…
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