Name: 6-chloro-5,14-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaen-10-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)c1c2c(cc3nc(Cl)ccc13)C1CNCC2C1Molecular Processing
Molecular formula
C19H21ClN2O2
Molecular weight
344.84
Exact mass
344.1292
XLogP
4.02
TPSA
51.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
94.89
Supplementary Information
Details werden geladen…
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