CCOC(=O)c1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1
Name: ethyl 4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzoate
SMILES: CCOC(=O)c1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1

Molecular Processing

Molecular formula
C15H22N2O2
Molecular weight
262.35
Exact mass
262.1681
XLogP
2.05
TPSA
41.57
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
76.67

Supplementary Information

Details werden geladen…

An 12 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→