Name: 4-chloro-1-ethyl-5,6-dihydrobenzo[5,6]cyclohepta[1,2-b]pyrazolo[4,3-e]pyridin-11(1H)-one
SMILES:
CCn1ncc2c(Cl)c3c(nc21)C(=O)c1ccccc1CC3Molecular Processing
Molecular formula
C17H14ClN3O
Molecular weight
311.77
Exact mass
311.0825
XLogP
3.43
TPSA
47.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
85.49
Supplementary Information
Details werden geladen…
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