이름: methyl 4-{[(2-hydroxyphenethyl)-(5-methoxy-5-oxopentyl)-amino]methyl}benzoate
SMILES:
COC(=O)CCCCN(CCc1ccccc1O)Cc1ccc(C(=O)OC)cc1Molecular Processing
Molecular formula
C23H29NO5
Molecular weight
399.49
Exact mass
399.2046
XLogP
3.57
TPSA
76.07
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
110.74
Supplementary Information
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