Name: 1,1-dimethylethyl 4-[4-(4,5-dihydro-5-phenyl-3-isoxazolyl)-2-thiazolyl)-1-piperidinecarboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1Molecular Processing
Molecular formula
C22H27N3O3S
Molecular weight
413.54
Exact mass
413.1773
XLogP
5.12
TPSA
64.02
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
113.32
Supplementary Information
Details werden geladen…
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