Name: tert-butyl 9-(tetrahydrofuran-3-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCOc2c(cccc2C2CCOC2)C1Molecular Processing
Molecular formula
C18H25NO4
Molecular weight
319.4
Exact mass
319.1784
XLogP
3.32
TPSA
48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
86.76
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→