Name: 2-(4-Amino-3-cyclopropylmethoxy-phenyl)-4-methyl-pentanoic acid cyclopropylmethyl ester
SMILES:
CC(C)CC(C(=O)OCC1CC1)c1ccc(N)c(OCC2CC2)c1Molecular Processing
Molecular formula
C20H29NO3
Molecular weight
331.46
Exact mass
331.2147
XLogP
4.14
TPSA
61.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
94.95
Supplementary Information
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