الاسم: (E)-3-[4-(4-methoxy-benzyl)-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]acrylic acid hydrochloride
SMILES:
COc1ccc(CN2CC(=O)Nc3ncc(/C=C/C(=O)O)cc3C2)cc1.ClMolecular Processing
Molecular formula
C19H20ClN3O4
Molecular weight
389.84
Exact mass
389.1142
XLogP
2.56
TPSA
91.76
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
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
2
Fraction Csp3
0.211
Molar refractivity
103.89
Supplementary Information
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