Name: tert-butyl 9-cyclopropyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCOc2c(cccc2C2CC2)C1Molecular Processing
Molecular formula
C17H23NO3
Molecular weight
289.38
Exact mass
289.1678
XLogP
3.69
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21
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
0.588
Molar refractivity
80.56
Supplementary Information
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