Name: 7-(4-ethoxyphenyl)-N-[4-[N-(4,4-ethylenedioxycyclohexyl)-N-methylaminomethyl]phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxamide
SMILES:
CCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCC5(CC4)OCCO5)cc2)CCS3(=O)=O)cc1Molecular Processing
Molecular formula
C35H40N2O6S
Molecular weight
616.78
Exact mass
616.2607
XLogP
6.07
TPSA
94.17
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
44
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
171.12
Supplementary Information
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Involved in 4 reactions→