이름: 6-butoxy-2-[4-(1,4-dioxa-7-azaspiro[4.4]non-7-yl)phenyl]-3,4-dihydro-2H-isoquinolin-1-one
SMILES:
CCCCOc1ccc2c(c1)CCN(c1ccc(N3CCC4(C3)OCCO4)cc1)C2=OMolecular Processing
Molecular formula
C25H30N2O4
Molecular weight
422.53
Exact mass
422.2206
XLogP
4.02
TPSA
51.24
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
120.13
Supplementary Information
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