C1CN(CCC1N2CC3=CC=CC=C3OC2=O)CC(=O)C4=CC5=C(C=C4)OCO5
الاسم: 3-[1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]piperidin-4-yl]-4H-1,3-benzoxazin-2-one
SMILES: C1CN(CCC1N2CC3=CC=CC=C3OC2=O)CC(=O)C4=CC5=C(C=C4)OCO5

Molecular 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

InChIKey: FFKNCPZOWTVWAD-UHFFFAOYSA-N
مرادفات
SCHEMBL11097138FFKNCPZOWTVWAD-UHFFFAOYSA-N1-(3,4-Methylenedioxybenzoylmethyl)-4-(2-oxo-3,4-dihydro-2H-1,3-benzoxazin-3-yl)-piperidine
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