Name: 4-(4-aminophenyl)-6,8,8-trimethyl-2-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-7,8-dihydro-6H-9-oxa-1,3,6-triazabenzocyclohepten-5-one
SMILES:
CN1CC(C)(C)Oc2nc(N3CC4CCC(C3)O4)nc(-c3ccc(N)cc3)c2C1=OMolecular Processing
Molecular formula
C22H27N5O3
Molecular weight
409.49
Exact mass
409.2114
XLogP
2.34
TPSA
93.81
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
30
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
113.66
Supplementary Information
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