Nombre: 4-(5-chloro-2-methoxy-benzenesulfonyl)-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid methyl ester
SMILES:
COC(=O)c1ccc2c(c1)N(S(=O)(=O)c1cc(Cl)ccc1OC)CCO2Molecular Processing
Molecular formula
C17H16ClNO6S
Molecular weight
397.84
Exact mass
397.0387
XLogP
2.72
TPSA
82.14
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
95.81
Supplementary Information
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