SMILES:
CCCCn1cnc2cc3c(cc21)C1CC3CN(C(=O)OC(C)(C)C)C1Molecular Processing
Molecular formula
C21H29N3O2
Molecular weight
355.48
Exact mass
355.226
XLogP
4.66
TPSA
47.36
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
102.55
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→