Nombre: 7-chloro-5-(o-chlorophenyl)-1,3-dihydro-2H-thieno[2,3-e]-1,4-diazepine-2-thione
SMILES:
S=C1CN=C(c2ccccc2Cl)c2cc(Cl)sc2N1Molecular Processing
Molecular formula
C13H8Cl2N2S2
Molecular weight
327.26
Exact mass
325.9506
XLogP
4.65
TPSA
24.39
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
87.51
Supplementary Information
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