Name: 1,1-dimethylethyl 5-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-3-isoxazolyl]-2-thiazolyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CC2CN(c3nc(C4=NOC(c5c(F)cccc5F)C4)cs3)CC2C1Molecular Processing
Molecular formula
C23H26F2N4O3S
Molecular weight
476.55
Exact mass
476.1694
XLogP
4.59
TPSA
67.26
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.522
Molar refractivity
120.45
Supplementary Information
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Involved in 2 reactions→