CN(C)CCSc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(C#N)c2)cc1C#Cc1ccccc1
SMILES: CN(C)CCSc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(C#N)c2)cc1C#Cc1ccccc1

Molecular Processing

Molecular formula
C33H34N4O4S
Molecular weight
582.73
Exact mass
582.2301
XLogP
6.17
TPSA
111.53
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
42
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
166.73

Supplementary Information

Details werden geladen…

An 1 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→