이름: 2,3-Dihydro-5,6-dimethoxy-2-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-1H-inden-1-ol
SMILES:
COc1cc2c(cc1OC)C(O)C(CN1CCN(c3ccccc3OC)CC1)C2Molecular Processing
Molecular formula
C23H30N2O4
Molecular weight
398.5
Exact mass
398.2206
XLogP
2.74
TPSA
54.4
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
113.35
Supplementary Information
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