Name: 3-methoxy-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepine-11-thione
SMILES:
COc1ccc2c(c1)Nc1ccccc1NC2=SMolecular Processing
Molecular formula
C14H12N2OS
Molecular weight
256.33
Exact mass
256.067
XLogP
3.54
TPSA
33.29
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
78.04
Supplementary Information
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