이름: trans-N-(7-chloro-2,3,4,14b-tetrahydro-1H-dibenzo[b,f]pyrido[1,2-d][1,4]oxazepin-1-yl)-2,2,2-trifluoroacetamide
SMILES:
O=C(N[C@@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12)C(F)(F)FMolecular Processing
Molecular formula
C19H16ClF3N2O2
Molecular weight
396.8
Exact mass
396.0852
XLogP
4.83
TPSA
41.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
95.27
Supplementary Information
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