Name: 2-((2-Chloro-4-(dimethylcarbamoyl)phenyl)(methyl) carbamoyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxylic acid
SMILES:
CN(C)C(=O)c1ccc(N(C)C(=O)c2cc3c(s2)-c2ccc(C(=O)O)cc2OCC3)c(Cl)c1Molecular Processing
Molecular formula
C24H21ClN2O5S
Molecular weight
484.96
Exact mass
484.086
XLogP
4.68
TPSA
87.15
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
128.12
Supplementary Information
Details werden geladen…
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