Nombre: tert-butyl (1E,4E)-8-(4-(dimethylcarbamoyl)phenyl)-4-(dipropylcarbamoyl)-3H-benzo[b]azepin-2-ylcarbamate
SMILES:
CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2N=C(NC(=O)OC(C)(C)C)C1Molecular Processing
Molecular formula
C31H40N4O4
Molecular weight
532.69
Exact mass
532.305
XLogP
6.05
TPSA
91.31
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
39
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
0.419
Molar refractivity
156.12
Supplementary Information
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