Название: 2-[2-(dimethylamino)ethyl]-2,3-dihydro-4-methyl-7-nitro-1,4-benzoxazepine-5(4H)-thione
SMILES:
CN(C)CCC1CN(C)C(=S)c2cc([N+](=O)[O-])ccc2O1Molecular Processing
Molecular formula
C14H19N3O3S
Molecular weight
309.39
Exact mass
309.1147
XLogP
1.91
TPSA
58.85
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
85.01
Supplementary Information
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