이름: 7,8-dichloro-10-(4-ethoxycarbonylpiperazino)-10,11-dihydrodibenzo(b,f)thiepine
SMILES:
CCOC(=O)N1CCN(C2Cc3ccccc3Sc3cc(Cl)c(Cl)cc32)CC1Molecular Processing
Molecular formula
C21H22Cl2N2O2S
Molecular weight
437.39
Exact mass
436.0779
XLogP
5.52
TPSA
32.78
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
113.64
Supplementary Information
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