Nombre: (±)-7-(4-ethoxycarbonyl-thiazol-2-yl)-8-methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine
SMILES:
CCOC(=O)c1csc(N2N=C(c3ccc([N+](=O)[O-])cc3)c3cc4c(cc3CC2C)OCO4)n1Molecular Processing
Molecular formula
C23H20N4O6S
Molecular weight
480.5
Exact mass
480.1104
XLogP
4.16
TPSA
116.39
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
125.02
Supplementary Information
Obteniendo detalles…
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