Name: 4-(4-chloro-6-methylquinolin-2-yl)-2,3,4,5-tetrahydro-1,4-benzothiazepine 1,1-dioxide
SMILES:
Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(Cl)c2c1Molecular Processing
Molecular formula
C19H17ClN2O2S
Molecular weight
372.88
Exact mass
372.0699
XLogP
3.99
TPSA
50.27
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
101.03
Supplementary Information
Details werden geladen…
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