Name: 8-[(dimethylamino)methylene]-5,6,7,8-tetrahydro-5-(4-nitrobenzoyl)-9H-pyrido[3,2-b]azepin-9-one
SMILES:
CN(C)C=C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2cccnc2C1=OMolecular Processing
Molecular formula
C19H18N4O4
Molecular weight
366.38
Exact mass
366.1328
XLogP
2.67
TPSA
96.65
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
99.73
Supplementary Information
Details werden geladen…
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