CC[C@@H](CN1CCOCC1C)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
SMILES: CC[C@@H](CN1CCOCC1C)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C29H36Cl2N2O4
Molecular weight
547.52
Exact mass
546.2052
XLogP
6.03
TPSA
70.08
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.517
Molar refractivity
146.14

Supplementary Information

Details werden geladen…

An 2 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→