COC(=O)C(CCC/C=C(\c1ccccc1)c1cccnc1)C(C)(C)O
Name: Methyl (E)-2-(1-hydroxy-1-methylethyl)-7-phenyl-7-(3-pyridyl)-6-heptenoate
SMILES: COC(=O)C(CCC/C=C(\c1ccccc1)c1cccnc1)C(C)(C)O

Molecular Processing

Molecular formula
C22H27NO3
Molecular weight
353.46
Exact mass
353.1991
XLogP
4.24
TPSA
59.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
103.41

Supplementary Information

Details werden geladen…

An 2 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→