Name: methyl 7-chloro-3-oxo-4-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate
SMILES:
COC(=O)C1(CCCN2CCN(c3ccccc3)CC2)Sc2cc(Cl)ccc2OCC1=OMolecular Processing
Molecular formula
C24H27ClN2O4S
Molecular weight
475.01
Exact mass
474.138
XLogP
3.91
TPSA
59.08
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
126.89
Supplementary Information
Details werden geladen…
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