CS(=O)CCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O
SMILES: CS(=O)CCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O

Molecular Processing

Molecular formula
C27H32F2N6O4S
Molecular weight
574.65
Exact mass
574.2174
XLogP
2.5
TPSA
120.4
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
146.36

Supplementary Information

Récupération des détails…

Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→