名称: 1-(3,4-methylenedioxybenzoylmethyl)-4-(2-oxo-3,4-dihydro-2H-1,3-benzoxazin-3-yl)-piperidine
SMILES:
O=C(CN1CCC(N2Cc3ccccc3OC2=O)CC1)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C22H22N2O5
Molecular weight
394.43
Exact mass
394.1529
XLogP
3.08
TPSA
68.31
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
104.37
Supplementary Information
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