Название: tert-Butyl (1E,4E)-4-(dipropylcarbamoyl)-8-(4-hydroxyphenyl)-3H-benzo[b]azepin-2-ylcarbamate
SMILES:
CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(O)cc3)cc2N=C(NC(=O)OC(C)(C)C)C1Molecular Processing
Molecular formula
C28H35N3O4
Molecular weight
477.61
Exact mass
477.2628
XLogP
6.05
TPSA
91.23
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
35
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
0.393
Molar refractivity
139.76
Supplementary Information
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