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 tert-butyl ester
SMILES:
COc1ccc(CN2CC(=O)Nc3ncc(/C=C/C(=O)OC(C)(C)C)cc3C2)cc1Molecular Processing
Molecular formula
C23H27N3O4
Molecular weight
409.49
Exact mass
409.2002
XLogP
3.4
TPSA
80.76
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
114.85
Supplementary Information
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