Nombre: [4-(7-chloro-1-oxo-1,2-dihydro-isoquinolin-6-yloxy)-cis-cyclohexylamino]-acetic acid ethyl ester
SMILES:
CCOC(=O)CN[C@H]1CC[C@@H](Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1Molecular Processing
Molecular formula
C19H23ClN2O4
Molecular weight
378.86
Exact mass
378.1346
XLogP
3.02
TPSA
80.42
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
100.89
Supplementary Information
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