Name: 3-cyclopropylmethyl-5-hydroxymethyl-9-methoxy-1,2,5,6,7,7a-hexahydro-4a,7-ethanobenzofuro[3,2-e]isoquinolin-4(3H)-one
SMILES:
COc1cccc2c1OC1C3CCC4(C(=O)N(CC5CC5)CCC214)C(CO)C3Molecular Processing
Molecular formula
C23H29NO4
Molecular weight
383.49
Exact mass
383.2097
XLogP
2.74
TPSA
59
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
7
Aromatic rings
1
Saturated rings
5
Aliphatic rings
6
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.696
Molar refractivity
103.36
Supplementary Information
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