名称: 5-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)octahydro-1H-pyrrolo[3,4-c]pyridin-1-one
SMILES:
O=C1NCC2CN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CCC12Molecular Processing
Molecular formula
C23H22ClN3O2
Molecular weight
407.9
Exact mass
407.1401
XLogP
3.55
TPSA
54.34
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
113
Supplementary Information
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