Name: 2,2-dimethyl-5-(phenylsulfonyl)-2,3,4,5-tetrahydrobenzo[b][1,4]-thiazepine-7-carboxylic acid
SMILES:
CC1(C)CCN(S(=O)(=O)c2ccccc2)c2cc(C(=O)O)ccc2S1Molecular Processing
Molecular formula
C18H19NO4S2
Molecular weight
377.49
Exact mass
377.0756
XLogP
3.85
TPSA
74.68
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
98.93
Supplementary Information
Details werden geladen…
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