Nombre: 5,11-dihydrodibenzo[b,e][1,4]thiazepine
SMILES:
COc1ccc(CCN2CCC[C@H]2CN2c3ccccc3CSc3ccccc32)cc1Molecular Processing
Molecular formula
C27H30N2OS
Molecular weight
430.62
Exact mass
430.2079
XLogP
6.15
TPSA
15.71
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
130.74
Supplementary Information
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