C=C(C)C1N(CCCN2CCC(NC(C)=O)CC2)C(=O)CC(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12
SMILES: C=C(C)C1N(CCCN2CCC(NC(C)=O)CC2)C(=O)CC(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12

Molecular Processing

Molecular formula
C31H36Cl2N4O3
Molecular weight
583.56
Exact mass
582.2164
XLogP
5.13
TPSA
81.75
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
40
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.452
Molar refractivity
158.78

Supplementary Information

Details werden geladen…

An 2 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→