Name: 3-(7-fluoro-4-methyl-3-oxo-2,3,4,10-tetrahydro-9-oxa-1,2,4a-triaza-phenanthren-6-yloxy)-3-methyl-azetidine-1-carboxylic acid tert-butyl ester
SMILES:
CC1C(=O)NN=C2COc3cc(F)c(OC4(C)CN(C(=O)OC(C)(C)C)C4)cc3N21Molecular Processing
Molecular formula
C20H25FN4O5
Molecular weight
420.44
Exact mass
420.1809
XLogP
2.24
TPSA
92.7
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
106.25
Supplementary Information
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