CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNN=C1CCCC1
SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNN=C1CCCC1

Molecular Processing

Molecular formula
C20H31N3O3
Molecular weight
361.49
Exact mass
361.2365
XLogP
3
TPSA
82.95
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
103.22

Supplementary Information

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