名称: 2-{3-[2-(1-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-1,3-thiazol-4-yl]-4,5-dihydro-1,2-oxazol-5-yl}benzaldehyde
SMILES:
O=Cc1ccccc1C1CC(c2csc(C3CCN(C(=O)Cn4nc(C(F)F)cc4C(F)F)CC3)n2)=NO1Molecular Processing
Molecular formula
C25H23F4N5O3S
Molecular weight
549.55
Exact mass
549.1458
XLogP
5.3
TPSA
89.68
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
129.62
Supplementary Information
No supplementary data available
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