Name: (2-{4-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)phenyl]piperazin-1-yl}-2-oxoethyl)carbamic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)NCC(=O)N1CCN(c2cccc(CS(=O)(=O)C=C3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)c2)CC1Molecular Processing
Molecular formula
C35H40Cl2N4O5S
Molecular weight
699.7
Exact mass
698.2096
XLogP
6.07
TPSA
99.26
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
47
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.371
Molar refractivity
186.5
Supplementary Information
Details werden geladen…
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