CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2C#N)CC1
SMILES: CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2C#N)CC1

Molecular Processing

Molecular formula
C18H21N3O2
Molecular weight
311.39
Exact mass
311.1634
XLogP
3.35
TPSA
77.12
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
85.49

Supplementary Information

Details werden geladen…

An 3 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→