الاسم: (E)-3-(4-ethoxycarbonylmethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)acrylic acid tert-butyl ester
SMILES:
CCOC(=O)CN1CC(=O)Nc2ncc(/C=C/C(=O)OC(C)(C)C)cc2C1Molecular Processing
Molecular formula
C19H25N3O5
Molecular weight
375.43
Exact mass
375.1794
XLogP
1.75
TPSA
97.83
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
99.66
Supplementary Information
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