Name: tert-butyl 9-cyclobutyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCOc2c(cccc2C2CCC2)C1Molecular Processing
Molecular formula
C18H25NO3
Molecular weight
303.4
Exact mass
303.1834
XLogP
4.08
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
85.17
Supplementary Information
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