Name: 5-(1H-Indole-3-carbonyloxy)-10-oxo-8-aza-tricyclo[5.3.1.03,8]undecane-9-carboxylic acid methyl ester
SMILES:
COC(=O)C1C(=O)C2CC3CC(OC(=O)c4c[nH]c5ccccc45)CC(C2)N31Molecular Processing
Molecular formula
C21H22N2O5
Molecular weight
382.42
Exact mass
382.1529
XLogP
2.06
TPSA
88.7
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
28
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
99.69
Supplementary Information
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