Name: methyl 4-[(7-amino-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzoate
SMILES:
COC(=O)c1ccc(CN2CCOc3cc(N)ccc32)cc1Molecular Processing
Molecular formula
C17H18N2O3
Molecular weight
298.34
Exact mass
298.1317
XLogP
2.45
TPSA
64.79
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
85.18
Supplementary Information
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Involved in 5 reactions→